occpy 0.5.7__cp39-cp39-macosx_10_15_universal2.whl → 0.6.2__cp39-cp39-macosx_10_15_universal2.whl
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- bin/occ +0 -0
- occpy/_occpy.cpython-39-darwin.so +0 -0
- {occpy-0.5.7.dist-info → occpy-0.6.2.dist-info}/METADATA +3 -4
- {occpy-0.5.7.dist-info → occpy-0.6.2.dist-info}/RECORD +12 -7
- {occpy-0.5.7.dist-info → occpy-0.6.2.dist-info}/WHEEL +1 -1
- share/occ/basis/def2-mtzvpp-rij.json +4263 -0
- share/occ/basis/def2-mtzvpp.json +28241 -0
- share/occ/solvent/dielectric_constants.json +1971 -0
- share/occ/solvent/dielectrics.json +181 -0
- share/occ/solvent/draco.json +210 -0
- share/occ/solvent/smd.json +1971 -0
- occpy-0.5.7.dist-info/entry_points.txt +0 -0
- {occpy-0.5.7.dist-info → occpy-0.6.2.dist-info}/licenses/LICENSE.txt +0 -0
|
@@ -0,0 +1,1971 @@
|
|
|
1
|
+
{
|
|
2
|
+
"1,1,1-trichloroethane": {
|
|
3
|
+
"acidity": 0.0,
|
|
4
|
+
"aromaticity": 0.0,
|
|
5
|
+
"basicity": 0.09,
|
|
6
|
+
"dielectric": 7.0826,
|
|
7
|
+
"electronegative halogenicity": 0.6,
|
|
8
|
+
"gamma": 36.24,
|
|
9
|
+
"is water": false,
|
|
10
|
+
"refractive index 293K": 1.4379,
|
|
11
|
+
"refractive index 298K": 1.4379
|
|
12
|
+
},
|
|
13
|
+
"1,1,2-trichloroethane": {
|
|
14
|
+
"acidity": 0.13,
|
|
15
|
+
"aromaticity": 0.0,
|
|
16
|
+
"basicity": 0.13,
|
|
17
|
+
"dielectric": 7.1937,
|
|
18
|
+
"electronegative halogenicity": 0.6,
|
|
19
|
+
"gamma": 48.97,
|
|
20
|
+
"is water": false,
|
|
21
|
+
"refractive index 293K": 1.4717,
|
|
22
|
+
"refractive index 298K": 1.4717
|
|
23
|
+
},
|
|
24
|
+
"1,2,4-trimethylbenzene": {
|
|
25
|
+
"acidity": 0.0,
|
|
26
|
+
"aromaticity": 0.667,
|
|
27
|
+
"basicity": 0.19,
|
|
28
|
+
"dielectric": 2.3653,
|
|
29
|
+
"electronegative halogenicity": 0.0,
|
|
30
|
+
"gamma": 42.03,
|
|
31
|
+
"is water": false,
|
|
32
|
+
"refractive index 293K": 1.5048,
|
|
33
|
+
"refractive index 298K": 1.5048
|
|
34
|
+
},
|
|
35
|
+
"1,2-dibromoethane": {
|
|
36
|
+
"acidity": 0.1,
|
|
37
|
+
"aromaticity": 0.0,
|
|
38
|
+
"basicity": 0.17,
|
|
39
|
+
"dielectric": 4.9313,
|
|
40
|
+
"electronegative halogenicity": 0.5,
|
|
41
|
+
"gamma": 56.93,
|
|
42
|
+
"is water": false,
|
|
43
|
+
"refractive index 293K": 1.5387,
|
|
44
|
+
"refractive index 298K": 1.5387
|
|
45
|
+
},
|
|
46
|
+
"1,2-dichloroethane": {
|
|
47
|
+
"acidity": 0.1,
|
|
48
|
+
"aromaticity": 0.0,
|
|
49
|
+
"basicity": 0.11,
|
|
50
|
+
"dielectric": 10.125,
|
|
51
|
+
"electronegative halogenicity": 0.5,
|
|
52
|
+
"gamma": 45.86,
|
|
53
|
+
"is water": false,
|
|
54
|
+
"refractive index 293K": 1.4448,
|
|
55
|
+
"refractive index 298K": 1.4448
|
|
56
|
+
},
|
|
57
|
+
"1,2-ethanediol": {
|
|
58
|
+
"acidity": 0.58,
|
|
59
|
+
"aromaticity": 0.0,
|
|
60
|
+
"basicity": 0.78,
|
|
61
|
+
"dielectric": 40.245,
|
|
62
|
+
"electronegative halogenicity": 0.5,
|
|
63
|
+
"gamma": 69.07,
|
|
64
|
+
"is water": false,
|
|
65
|
+
"refractive index 293K": 1.4318,
|
|
66
|
+
"refractive index 298K": 1.4318
|
|
67
|
+
},
|
|
68
|
+
"1,4-dioxane": {
|
|
69
|
+
"acidity": 0.0,
|
|
70
|
+
"aromaticity": 0.0,
|
|
71
|
+
"basicity": 0.64,
|
|
72
|
+
"dielectric": 2.2099,
|
|
73
|
+
"electronegative halogenicity": 0.0,
|
|
74
|
+
"gamma": 47.14,
|
|
75
|
+
"is water": false,
|
|
76
|
+
"refractive index 293K": 1.4224,
|
|
77
|
+
"refractive index 298K": 1.4224
|
|
78
|
+
},
|
|
79
|
+
"1-bromo-2-methylpropane": {
|
|
80
|
+
"acidity": 0.0,
|
|
81
|
+
"aromaticity": 0.0,
|
|
82
|
+
"basicity": 0.12,
|
|
83
|
+
"dielectric": 7.7792,
|
|
84
|
+
"electronegative halogenicity": 0.2,
|
|
85
|
+
"gamma": 34.69,
|
|
86
|
+
"is water": false,
|
|
87
|
+
"refractive index 293K": 1.4348,
|
|
88
|
+
"refractive index 298K": 1.4348
|
|
89
|
+
},
|
|
90
|
+
"1-bromooctane": {
|
|
91
|
+
"acidity": 0.0,
|
|
92
|
+
"aromaticity": 0.0,
|
|
93
|
+
"basicity": 0.12,
|
|
94
|
+
"dielectric": 5.0244,
|
|
95
|
+
"electronegative halogenicity": 0.111,
|
|
96
|
+
"gamma": 41.28,
|
|
97
|
+
"is water": false,
|
|
98
|
+
"refractive index 293K": 1.4524,
|
|
99
|
+
"refractive index 298K": 1.4524
|
|
100
|
+
},
|
|
101
|
+
"1-bromopentane": {
|
|
102
|
+
"acidity": 0.0,
|
|
103
|
+
"aromaticity": 0.0,
|
|
104
|
+
"basicity": 0.12,
|
|
105
|
+
"dielectric": 6.269,
|
|
106
|
+
"electronegative halogenicity": 0.25,
|
|
107
|
+
"gamma": 38.7,
|
|
108
|
+
"is water": false,
|
|
109
|
+
"refractive index 293K": 1.4447,
|
|
110
|
+
"refractive index 298K": 1.4447
|
|
111
|
+
},
|
|
112
|
+
"1-bromopropane": {
|
|
113
|
+
"acidity": 0.0,
|
|
114
|
+
"aromaticity": 0.0,
|
|
115
|
+
"basicity": 0.12,
|
|
116
|
+
"dielectric": 8.0496,
|
|
117
|
+
"electronegative halogenicity": 0.25,
|
|
118
|
+
"gamma": 36.36,
|
|
119
|
+
"is water": false,
|
|
120
|
+
"refractive index 293K": 1.4343,
|
|
121
|
+
"refractive index 298K": 1.4343
|
|
122
|
+
},
|
|
123
|
+
"1-butanol": {
|
|
124
|
+
"acidity": 0.37,
|
|
125
|
+
"aromaticity": 0.0,
|
|
126
|
+
"basicity": 0.48,
|
|
127
|
+
"dielectric": 17.332,
|
|
128
|
+
"electronegative halogenicity": 0.0,
|
|
129
|
+
"gamma": 35.88,
|
|
130
|
+
"is water": false,
|
|
131
|
+
"refractive index 293K": 1.3993,
|
|
132
|
+
"refractive index 298K": 1.3993
|
|
133
|
+
},
|
|
134
|
+
"1-chlorohexane": {
|
|
135
|
+
"acidity": 0.0,
|
|
136
|
+
"aromaticity": 0.0,
|
|
137
|
+
"basicity": 0.1,
|
|
138
|
+
"dielectric": 5.9491,
|
|
139
|
+
"electronegative halogenicity": 0.143,
|
|
140
|
+
"gamma": 37.03,
|
|
141
|
+
"is water": false,
|
|
142
|
+
"refractive index 293K": 1.4199,
|
|
143
|
+
"refractive index 298K": 1.4199
|
|
144
|
+
},
|
|
145
|
+
"1-chloropentane": {
|
|
146
|
+
"acidity": 0.0,
|
|
147
|
+
"aromaticity": 0.0,
|
|
148
|
+
"basicity": 0.1,
|
|
149
|
+
"dielectric": 6.5022,
|
|
150
|
+
"electronegative halogenicity": 0.167,
|
|
151
|
+
"gamma": 35.12,
|
|
152
|
+
"is water": false,
|
|
153
|
+
"refractive index 293K": 1.4127,
|
|
154
|
+
"refractive index 298K": 1.4127
|
|
155
|
+
},
|
|
156
|
+
"1-chloropropane": {
|
|
157
|
+
"acidity": 0.0,
|
|
158
|
+
"aromaticity": 0.0,
|
|
159
|
+
"basicity": 0.1,
|
|
160
|
+
"dielectric": 8.3548,
|
|
161
|
+
"electronegative halogenicity": 0.25,
|
|
162
|
+
"gamma": 30.66,
|
|
163
|
+
"is water": false,
|
|
164
|
+
"refractive index 293K": 1.3879,
|
|
165
|
+
"refractive index 298K": 1.3879
|
|
166
|
+
},
|
|
167
|
+
"1-decanol": {
|
|
168
|
+
"acidity": 0.37,
|
|
169
|
+
"aromaticity": 0.0,
|
|
170
|
+
"basicity": 0.48,
|
|
171
|
+
"dielectric": 7.5305,
|
|
172
|
+
"electronegative halogenicity": 0.0,
|
|
173
|
+
"gamma": 41.04,
|
|
174
|
+
"is water": false,
|
|
175
|
+
"refractive index 293K": 1.4372,
|
|
176
|
+
"refractive index 298K": 1.4372
|
|
177
|
+
},
|
|
178
|
+
"1-fluorooctane": {
|
|
179
|
+
"acidity": 0.0,
|
|
180
|
+
"aromaticity": 0.0,
|
|
181
|
+
"basicity": 0.1,
|
|
182
|
+
"dielectric": 3.89,
|
|
183
|
+
"electronegative halogenicity": 0.111,
|
|
184
|
+
"gamma": 33.92,
|
|
185
|
+
"is water": false,
|
|
186
|
+
"refractive index 293K": 1.3935,
|
|
187
|
+
"refractive index 298K": 1.3935
|
|
188
|
+
},
|
|
189
|
+
"1-heptanol": {
|
|
190
|
+
"acidity": 0.37,
|
|
191
|
+
"aromaticity": 0.0,
|
|
192
|
+
"basicity": 0.48,
|
|
193
|
+
"dielectric": 11.321,
|
|
194
|
+
"electronegative halogenicity": 0.0,
|
|
195
|
+
"gamma": 38.5,
|
|
196
|
+
"is water": false,
|
|
197
|
+
"refractive index 293K": 1.4249,
|
|
198
|
+
"refractive index 298K": 1.4249
|
|
199
|
+
},
|
|
200
|
+
"1-hexanol": {
|
|
201
|
+
"acidity": 0.37,
|
|
202
|
+
"aromaticity": 0.0,
|
|
203
|
+
"basicity": 0.48,
|
|
204
|
+
"dielectric": 12.51,
|
|
205
|
+
"electronegative halogenicity": 0.0,
|
|
206
|
+
"gamma": 37.15,
|
|
207
|
+
"is water": false,
|
|
208
|
+
"refractive index 293K": 1.4178,
|
|
209
|
+
"refractive index 298K": 1.4178
|
|
210
|
+
},
|
|
211
|
+
"1-hexene": {
|
|
212
|
+
"acidity": 0.0,
|
|
213
|
+
"aromaticity": 0.0,
|
|
214
|
+
"basicity": 0.07,
|
|
215
|
+
"dielectric": 2.0717,
|
|
216
|
+
"electronegative halogenicity": 0.0,
|
|
217
|
+
"gamma": 25.76,
|
|
218
|
+
"is water": false,
|
|
219
|
+
"refractive index 293K": 1.3837,
|
|
220
|
+
"refractive index 298K": 1.3837
|
|
221
|
+
},
|
|
222
|
+
"1-hexyne": {
|
|
223
|
+
"acidity": 0.12,
|
|
224
|
+
"aromaticity": 0.0,
|
|
225
|
+
"basicity": 0.1,
|
|
226
|
+
"dielectric": 2.615,
|
|
227
|
+
"electronegative halogenicity": 0.0,
|
|
228
|
+
"gamma": 28.79,
|
|
229
|
+
"is water": false,
|
|
230
|
+
"refractive index 293K": 1.3989,
|
|
231
|
+
"refractive index 298K": 1.3989
|
|
232
|
+
},
|
|
233
|
+
"1-iodobutane": {
|
|
234
|
+
"acidity": 0.0,
|
|
235
|
+
"aromaticity": 0.0,
|
|
236
|
+
"basicity": 0.15,
|
|
237
|
+
"dielectric": 6.173,
|
|
238
|
+
"electronegative halogenicity": 0.0,
|
|
239
|
+
"gamma": 40.65,
|
|
240
|
+
"is water": false,
|
|
241
|
+
"refractive index 293K": 1.5001,
|
|
242
|
+
"refractive index 298K": 1.5001
|
|
243
|
+
},
|
|
244
|
+
"1-iodohexadecane": {
|
|
245
|
+
"acidity": 0.0,
|
|
246
|
+
"aromaticity": 0.0,
|
|
247
|
+
"basicity": 0.15,
|
|
248
|
+
"dielectric": 3.5338,
|
|
249
|
+
"electronegative halogenicity": 0.0,
|
|
250
|
+
"gamma": 46.48,
|
|
251
|
+
"is water": false,
|
|
252
|
+
"refractive index 293K": 1.4806,
|
|
253
|
+
"refractive index 298K": 1.4806
|
|
254
|
+
},
|
|
255
|
+
"1-iodopentane": {
|
|
256
|
+
"acidity": 0.0,
|
|
257
|
+
"aromaticity": 0.0,
|
|
258
|
+
"basicity": 0.15,
|
|
259
|
+
"dielectric": 5.6973,
|
|
260
|
+
"electronegative halogenicity": 0.0,
|
|
261
|
+
"gamma": 41.56,
|
|
262
|
+
"is water": false,
|
|
263
|
+
"refractive index 293K": 1.4959,
|
|
264
|
+
"refractive index 298K": 1.4959
|
|
265
|
+
},
|
|
266
|
+
"1-iodopropane": {
|
|
267
|
+
"acidity": 0.0,
|
|
268
|
+
"aromaticity": 0.0,
|
|
269
|
+
"basicity": 0.15,
|
|
270
|
+
"dielectric": 6.9626,
|
|
271
|
+
"electronegative halogenicity": 0.0,
|
|
272
|
+
"gamma": 41.45,
|
|
273
|
+
"is water": false,
|
|
274
|
+
"refractive index 293K": 1.5058,
|
|
275
|
+
"refractive index 298K": 1.5058
|
|
276
|
+
},
|
|
277
|
+
"1-nitropropane": {
|
|
278
|
+
"acidity": 0.0,
|
|
279
|
+
"aromaticity": 0.0,
|
|
280
|
+
"basicity": 0.31,
|
|
281
|
+
"dielectric": 23.73,
|
|
282
|
+
"electronegative halogenicity": 0.0,
|
|
283
|
+
"gamma": 43.32,
|
|
284
|
+
"is water": false,
|
|
285
|
+
"refractive index 293K": 1.4018,
|
|
286
|
+
"refractive index 298K": 1.4018
|
|
287
|
+
},
|
|
288
|
+
"1-nonanol": {
|
|
289
|
+
"acidity": 0.37,
|
|
290
|
+
"aromaticity": 0.0,
|
|
291
|
+
"basicity": 0.48,
|
|
292
|
+
"dielectric": 8.5991,
|
|
293
|
+
"electronegative halogenicity": 0.0,
|
|
294
|
+
"gamma": 40.14,
|
|
295
|
+
"is water": false,
|
|
296
|
+
"refractive index 293K": 1.4333,
|
|
297
|
+
"refractive index 298K": 1.4333
|
|
298
|
+
},
|
|
299
|
+
"1-octanol": {
|
|
300
|
+
"acidity": 0.37,
|
|
301
|
+
"aromaticity": 0.0,
|
|
302
|
+
"basicity": 0.48,
|
|
303
|
+
"dielectric": 9.8629,
|
|
304
|
+
"electronegative halogenicity": 0.0,
|
|
305
|
+
"gamma": 39.01,
|
|
306
|
+
"is water": false,
|
|
307
|
+
"refractive index 293K": 1.4295,
|
|
308
|
+
"refractive index 298K": 1.4295
|
|
309
|
+
},
|
|
310
|
+
"1-pentanol": {
|
|
311
|
+
"acidity": 0.37,
|
|
312
|
+
"aromaticity": 0.0,
|
|
313
|
+
"basicity": 0.48,
|
|
314
|
+
"dielectric": 15.13,
|
|
315
|
+
"electronegative halogenicity": 0.0,
|
|
316
|
+
"gamma": 36.5,
|
|
317
|
+
"is water": false,
|
|
318
|
+
"refractive index 293K": 1.4101,
|
|
319
|
+
"refractive index 298K": 1.4101
|
|
320
|
+
},
|
|
321
|
+
"1-pentene": {
|
|
322
|
+
"acidity": 0.0,
|
|
323
|
+
"aromaticity": 0.0,
|
|
324
|
+
"basicity": 0.07,
|
|
325
|
+
"dielectric": 1.9905,
|
|
326
|
+
"electronegative halogenicity": 0.0,
|
|
327
|
+
"gamma": 22.24,
|
|
328
|
+
"is water": false,
|
|
329
|
+
"refractive index 293K": 1.3715,
|
|
330
|
+
"refractive index 298K": 1.3715
|
|
331
|
+
},
|
|
332
|
+
"1-propanol": {
|
|
333
|
+
"acidity": 0.37,
|
|
334
|
+
"aromaticity": 0.0,
|
|
335
|
+
"basicity": 0.48,
|
|
336
|
+
"dielectric": 20.524,
|
|
337
|
+
"electronegative halogenicity": 0.0,
|
|
338
|
+
"gamma": 33.57,
|
|
339
|
+
"is water": false,
|
|
340
|
+
"refractive index 293K": 1.385,
|
|
341
|
+
"refractive index 298K": 1.385
|
|
342
|
+
},
|
|
343
|
+
"2,2,2-trifluoroethanol": {
|
|
344
|
+
"acidity": 0.57,
|
|
345
|
+
"aromaticity": 0.0,
|
|
346
|
+
"basicity": 0.25,
|
|
347
|
+
"dielectric": 26.726,
|
|
348
|
+
"electronegative halogenicity": 0.5,
|
|
349
|
+
"gamma": 42.02,
|
|
350
|
+
"is water": false,
|
|
351
|
+
"refractive index 293K": 1.2907,
|
|
352
|
+
"refractive index 298K": 1.2907
|
|
353
|
+
},
|
|
354
|
+
"2,2,4-trimethylpentane": {
|
|
355
|
+
"acidity": 0.0,
|
|
356
|
+
"aromaticity": 0.0,
|
|
357
|
+
"basicity": 0.0,
|
|
358
|
+
"dielectric": 1.9358,
|
|
359
|
+
"electronegative halogenicity": 0.0,
|
|
360
|
+
"gamma": 26.38,
|
|
361
|
+
"is water": false,
|
|
362
|
+
"refractive index 293K": 1.3915,
|
|
363
|
+
"refractive index 298K": 1.3915
|
|
364
|
+
},
|
|
365
|
+
"2,4-dimethylpentane": {
|
|
366
|
+
"acidity": 0.0,
|
|
367
|
+
"aromaticity": 0.0,
|
|
368
|
+
"basicity": 0.0,
|
|
369
|
+
"dielectric": 1.8939,
|
|
370
|
+
"electronegative halogenicity": 0.0,
|
|
371
|
+
"gamma": 25.42,
|
|
372
|
+
"is water": false,
|
|
373
|
+
"refractive index 293K": 1.3815,
|
|
374
|
+
"refractive index 298K": 1.3815
|
|
375
|
+
},
|
|
376
|
+
"2,4-dimethylpyridine": {
|
|
377
|
+
"acidity": 0.0,
|
|
378
|
+
"aromaticity": 0.625,
|
|
379
|
+
"basicity": 0.63,
|
|
380
|
+
"dielectric": 9.4176,
|
|
381
|
+
"electronegative halogenicity": 0.0,
|
|
382
|
+
"gamma": 46.86,
|
|
383
|
+
"is water": false,
|
|
384
|
+
"refractive index 293K": 1.501,
|
|
385
|
+
"refractive index 298K": 1.501
|
|
386
|
+
},
|
|
387
|
+
"2,6-dimethylpyridine": {
|
|
388
|
+
"acidity": 0.0,
|
|
389
|
+
"aromaticity": 0.625,
|
|
390
|
+
"basicity": 0.63,
|
|
391
|
+
"dielectric": 7.1735,
|
|
392
|
+
"electronegative halogenicity": 0.0,
|
|
393
|
+
"gamma": 44.64,
|
|
394
|
+
"is water": false,
|
|
395
|
+
"refractive index 293K": 1.4953,
|
|
396
|
+
"refractive index 298K": 1.4953
|
|
397
|
+
},
|
|
398
|
+
"2-bromopropane": {
|
|
399
|
+
"acidity": 0.0,
|
|
400
|
+
"aromaticity": 0.0,
|
|
401
|
+
"basicity": 0.14,
|
|
402
|
+
"dielectric": 9.361,
|
|
403
|
+
"electronegative halogenicity": 0.25,
|
|
404
|
+
"gamma": 33.46,
|
|
405
|
+
"is water": false,
|
|
406
|
+
"refractive index 293K": 1.4251,
|
|
407
|
+
"refractive index 298K": 1.4251
|
|
408
|
+
},
|
|
409
|
+
"2-butanol": {
|
|
410
|
+
"acidity": 0.33,
|
|
411
|
+
"aromaticity": 0.0,
|
|
412
|
+
"basicity": 0.56,
|
|
413
|
+
"dielectric": 15.944,
|
|
414
|
+
"electronegative halogenicity": 0.0,
|
|
415
|
+
"gamma": 32.44,
|
|
416
|
+
"is water": false,
|
|
417
|
+
"refractive index 293K": 1.3978,
|
|
418
|
+
"refractive index 298K": 1.3978
|
|
419
|
+
},
|
|
420
|
+
"2-chlorobutane": {
|
|
421
|
+
"acidity": 0.0,
|
|
422
|
+
"aromaticity": 0.0,
|
|
423
|
+
"basicity": 0.12,
|
|
424
|
+
"dielectric": 8.393,
|
|
425
|
+
"electronegative halogenicity": 0.2,
|
|
426
|
+
"gamma": 31.1,
|
|
427
|
+
"is water": false,
|
|
428
|
+
"refractive index 293K": 1.3971,
|
|
429
|
+
"refractive index 298K": 1.3971
|
|
430
|
+
},
|
|
431
|
+
"2-heptanone": {
|
|
432
|
+
"acidity": 0.0,
|
|
433
|
+
"aromaticity": 0.0,
|
|
434
|
+
"basicity": 0.51,
|
|
435
|
+
"dielectric": 11.658,
|
|
436
|
+
"electronegative halogenicity": 0.0,
|
|
437
|
+
"gamma": 37.6,
|
|
438
|
+
"is water": false,
|
|
439
|
+
"refractive index 293K": 1.4088,
|
|
440
|
+
"refractive index 298K": 1.4088
|
|
441
|
+
},
|
|
442
|
+
"2-hexanone": {
|
|
443
|
+
"acidity": 0.0,
|
|
444
|
+
"aromaticity": 0.0,
|
|
445
|
+
"basicity": 0.51,
|
|
446
|
+
"dielectric": 14.136,
|
|
447
|
+
"electronegative halogenicity": 0.0,
|
|
448
|
+
"gamma": 36.63,
|
|
449
|
+
"is water": false,
|
|
450
|
+
"refractive index 293K": 1.4007,
|
|
451
|
+
"refractive index 298K": 1.4007
|
|
452
|
+
},
|
|
453
|
+
"2-methoxyethanol": {
|
|
454
|
+
"acidity": 0.3,
|
|
455
|
+
"aromaticity": 0.0,
|
|
456
|
+
"basicity": 0.84,
|
|
457
|
+
"dielectric": 17.2,
|
|
458
|
+
"electronegative halogenicity": 0.0,
|
|
459
|
+
"gamma": 44.39,
|
|
460
|
+
"is water": false,
|
|
461
|
+
"refractive index 293K": 1.4024,
|
|
462
|
+
"refractive index 298K": 1.4024
|
|
463
|
+
},
|
|
464
|
+
"2-methyl-1-propanol": {
|
|
465
|
+
"acidity": 0.37,
|
|
466
|
+
"aromaticity": 0.0,
|
|
467
|
+
"basicity": 0.48,
|
|
468
|
+
"dielectric": 16.777,
|
|
469
|
+
"electronegative halogenicity": 0.0,
|
|
470
|
+
"gamma": 32.38,
|
|
471
|
+
"is water": false,
|
|
472
|
+
"refractive index 293K": 1.3955,
|
|
473
|
+
"refractive index 298K": 1.3955
|
|
474
|
+
},
|
|
475
|
+
"2-methyl-2-propanol": {
|
|
476
|
+
"acidity": 0.31,
|
|
477
|
+
"aromaticity": 0.0,
|
|
478
|
+
"basicity": 0.6,
|
|
479
|
+
"dielectric": 12.47,
|
|
480
|
+
"electronegative halogenicity": 0.0,
|
|
481
|
+
"gamma": 28.73,
|
|
482
|
+
"is water": false,
|
|
483
|
+
"refractive index 293K": 1.3878,
|
|
484
|
+
"refractive index 298K": 1.3878
|
|
485
|
+
},
|
|
486
|
+
"2-methylpentane": {
|
|
487
|
+
"acidity": 0.0,
|
|
488
|
+
"aromaticity": 0.0,
|
|
489
|
+
"basicity": 0.0,
|
|
490
|
+
"dielectric": 1.89,
|
|
491
|
+
"electronegative halogenicity": 0.0,
|
|
492
|
+
"gamma": 24.3,
|
|
493
|
+
"is water": false,
|
|
494
|
+
"refractive index 293K": 1.3715,
|
|
495
|
+
"refractive index 298K": 1.3715
|
|
496
|
+
},
|
|
497
|
+
"2-methylpyridine": {
|
|
498
|
+
"acidity": 0.0,
|
|
499
|
+
"aromaticity": 0.714,
|
|
500
|
+
"basicity": 0.58,
|
|
501
|
+
"dielectric": 9.9533,
|
|
502
|
+
"electronegative halogenicity": 0.0,
|
|
503
|
+
"gamma": 47.5,
|
|
504
|
+
"is water": false,
|
|
505
|
+
"refractive index 293K": 1.4957,
|
|
506
|
+
"refractive index 298K": 1.4957
|
|
507
|
+
},
|
|
508
|
+
"2-nitropropane": {
|
|
509
|
+
"acidity": 0.0,
|
|
510
|
+
"aromaticity": 0.0,
|
|
511
|
+
"basicity": 0.33,
|
|
512
|
+
"dielectric": 25.654,
|
|
513
|
+
"electronegative halogenicity": 0.0,
|
|
514
|
+
"gamma": 42.16,
|
|
515
|
+
"is water": false,
|
|
516
|
+
"refractive index 293K": 1.3944,
|
|
517
|
+
"refractive index 298K": 1.3944
|
|
518
|
+
},
|
|
519
|
+
"2-octanone": {
|
|
520
|
+
"acidity": 0.0,
|
|
521
|
+
"aromaticity": 0.0,
|
|
522
|
+
"basicity": 0.51,
|
|
523
|
+
"dielectric": 9.4678,
|
|
524
|
+
"electronegative halogenicity": 0.0,
|
|
525
|
+
"gamma": 37.29,
|
|
526
|
+
"is water": false,
|
|
527
|
+
"refractive index 293K": 1.4151,
|
|
528
|
+
"refractive index 298K": 1.4151
|
|
529
|
+
},
|
|
530
|
+
"2-pentanone": {
|
|
531
|
+
"acidity": 0.0,
|
|
532
|
+
"aromaticity": 0.0,
|
|
533
|
+
"basicity": 0.51,
|
|
534
|
+
"dielectric": 15.2,
|
|
535
|
+
"electronegative halogenicity": 0.0,
|
|
536
|
+
"gamma": 33.46,
|
|
537
|
+
"is water": false,
|
|
538
|
+
"refractive index 293K": 1.3895,
|
|
539
|
+
"refractive index 298K": 1.3895
|
|
540
|
+
},
|
|
541
|
+
"2-propanol": {
|
|
542
|
+
"acidity": 0.33,
|
|
543
|
+
"aromaticity": 0.0,
|
|
544
|
+
"basicity": 0.56,
|
|
545
|
+
"dielectric": 19.264,
|
|
546
|
+
"electronegative halogenicity": 0.0,
|
|
547
|
+
"gamma": 30.13,
|
|
548
|
+
"is water": false,
|
|
549
|
+
"refractive index 293K": 1.3776,
|
|
550
|
+
"refractive index 298K": 1.3776
|
|
551
|
+
},
|
|
552
|
+
"2-propen-1-ol": {
|
|
553
|
+
"acidity": 0.38,
|
|
554
|
+
"aromaticity": 0.0,
|
|
555
|
+
"basicity": 0.48,
|
|
556
|
+
"dielectric": 19.011,
|
|
557
|
+
"electronegative halogenicity": 0.0,
|
|
558
|
+
"gamma": 36.39,
|
|
559
|
+
"is water": false,
|
|
560
|
+
"refractive index 293K": 1.4135,
|
|
561
|
+
"refractive index 298K": 1.4135
|
|
562
|
+
},
|
|
563
|
+
"3-methylpyridine": {
|
|
564
|
+
"acidity": 0.0,
|
|
565
|
+
"aromaticity": 0.714,
|
|
566
|
+
"basicity": 0.54,
|
|
567
|
+
"dielectric": 11.645,
|
|
568
|
+
"electronegative halogenicity": 0.0,
|
|
569
|
+
"gamma": 49.61,
|
|
570
|
+
"is water": false,
|
|
571
|
+
"refractive index 293K": 1.504,
|
|
572
|
+
"refractive index 298K": 1.504
|
|
573
|
+
},
|
|
574
|
+
"3-pentanone": {
|
|
575
|
+
"acidity": 0.0,
|
|
576
|
+
"aromaticity": 0.0,
|
|
577
|
+
"basicity": 0.51,
|
|
578
|
+
"dielectric": 16.78,
|
|
579
|
+
"electronegative halogenicity": 0.0,
|
|
580
|
+
"gamma": 35.61,
|
|
581
|
+
"is water": false,
|
|
582
|
+
"refractive index 293K": 1.3924,
|
|
583
|
+
"refractive index 298K": 1.3924
|
|
584
|
+
},
|
|
585
|
+
"4-heptanone": {
|
|
586
|
+
"acidity": 0.0,
|
|
587
|
+
"aromaticity": 0.0,
|
|
588
|
+
"basicity": 0.51,
|
|
589
|
+
"dielectric": 12.257,
|
|
590
|
+
"electronegative halogenicity": 0.0,
|
|
591
|
+
"gamma": 35.98,
|
|
592
|
+
"is water": false,
|
|
593
|
+
"refractive index 293K": 1.4069,
|
|
594
|
+
"refractive index 298K": 1.4069
|
|
595
|
+
},
|
|
596
|
+
"4-methyl-2-pentanone": {
|
|
597
|
+
"acidity": 0.0,
|
|
598
|
+
"aromaticity": 0.0,
|
|
599
|
+
"basicity": 0.51,
|
|
600
|
+
"dielectric": 12.887,
|
|
601
|
+
"electronegative halogenicity": 0.0,
|
|
602
|
+
"gamma": 33.83,
|
|
603
|
+
"is water": false,
|
|
604
|
+
"refractive index 293K": 1.3962,
|
|
605
|
+
"refractive index 298K": 1.3962
|
|
606
|
+
},
|
|
607
|
+
"4-methylpyridine": {
|
|
608
|
+
"acidity": 0.0,
|
|
609
|
+
"aromaticity": 0.714,
|
|
610
|
+
"basicity": 0.54,
|
|
611
|
+
"dielectric": 11.957,
|
|
612
|
+
"electronegative halogenicity": 0.0,
|
|
613
|
+
"gamma": 50.17,
|
|
614
|
+
"is water": false,
|
|
615
|
+
"refractive index 293K": 1.5037,
|
|
616
|
+
"refractive index 298K": 1.5037
|
|
617
|
+
},
|
|
618
|
+
"5-nonanone": {
|
|
619
|
+
"acidity": 0.0,
|
|
620
|
+
"aromaticity": 0.0,
|
|
621
|
+
"basicity": 0.51,
|
|
622
|
+
"dielectric": 10.6,
|
|
623
|
+
"electronegative halogenicity": 0.0,
|
|
624
|
+
"gamma": 37.83,
|
|
625
|
+
"is water": false,
|
|
626
|
+
"refractive index 293K": 1.4195,
|
|
627
|
+
"refractive index 298K": 1.4195
|
|
628
|
+
},
|
|
629
|
+
"E-1,2-dichloroethene": {
|
|
630
|
+
"acidity": 0.09,
|
|
631
|
+
"aromaticity": 0.0,
|
|
632
|
+
"basicity": 0.05,
|
|
633
|
+
"dielectric": 2.14,
|
|
634
|
+
"electronegative halogenicity": 0.5,
|
|
635
|
+
"gamma": 37.13,
|
|
636
|
+
"is water": false,
|
|
637
|
+
"refractive index 293K": 1.4454,
|
|
638
|
+
"refractive index 298K": 1.4454
|
|
639
|
+
},
|
|
640
|
+
"E-2-pentene": {
|
|
641
|
+
"acidity": 0.0,
|
|
642
|
+
"aromaticity": 0.0,
|
|
643
|
+
"basicity": 0.07,
|
|
644
|
+
"dielectric": 2.051,
|
|
645
|
+
"electronegative halogenicity": 0.0,
|
|
646
|
+
"gamma": 23.62,
|
|
647
|
+
"is water": false,
|
|
648
|
+
"refractive index 293K": 1.3793,
|
|
649
|
+
"refractive index 298K": 1.3793
|
|
650
|
+
},
|
|
651
|
+
"N,N-dimethylacetamide": {
|
|
652
|
+
"acidity": 0.0,
|
|
653
|
+
"aromaticity": 0.0,
|
|
654
|
+
"basicity": 0.78,
|
|
655
|
+
"dielectric": 37.781,
|
|
656
|
+
"electronegative halogenicity": 0.0,
|
|
657
|
+
"gamma": 47.62,
|
|
658
|
+
"is water": false,
|
|
659
|
+
"refractive index 293K": 1.438,
|
|
660
|
+
"refractive index 298K": 1.438
|
|
661
|
+
},
|
|
662
|
+
"N,N-dimethylformamide": {
|
|
663
|
+
"acidity": 0.0,
|
|
664
|
+
"aromaticity": 0.0,
|
|
665
|
+
"basicity": 0.74,
|
|
666
|
+
"dielectric": 37.219,
|
|
667
|
+
"electronegative halogenicity": 0.0,
|
|
668
|
+
"gamma": 49.56,
|
|
669
|
+
"is water": false,
|
|
670
|
+
"refractive index 293K": 1.4305,
|
|
671
|
+
"refractive index 298K": 1.4305
|
|
672
|
+
},
|
|
673
|
+
"N-methylaniline": {
|
|
674
|
+
"acidity": 0.17,
|
|
675
|
+
"aromaticity": 0.75,
|
|
676
|
+
"basicity": 0.43,
|
|
677
|
+
"dielectric": 5.96,
|
|
678
|
+
"electronegative halogenicity": 0.0,
|
|
679
|
+
"gamma": 53.11,
|
|
680
|
+
"is water": false,
|
|
681
|
+
"refractive index 293K": 1.5684,
|
|
682
|
+
"refractive index 298K": 1.5684
|
|
683
|
+
},
|
|
684
|
+
"N-methylformamide(E-Zmixture)": {
|
|
685
|
+
"acidity": 0.4,
|
|
686
|
+
"aromaticity": 0.0,
|
|
687
|
+
"basicity": 0.55,
|
|
688
|
+
"dielectric": 181.56,
|
|
689
|
+
"electronegative halogenicity": 0.0,
|
|
690
|
+
"gamma": 55.44,
|
|
691
|
+
"is water": false,
|
|
692
|
+
"refractive index 293K": 1.4319,
|
|
693
|
+
"refractive index 298K": 1.4319
|
|
694
|
+
},
|
|
695
|
+
"Z-1,2-dichloroethene": {
|
|
696
|
+
"acidity": 0.11,
|
|
697
|
+
"aromaticity": 0.0,
|
|
698
|
+
"basicity": 0.05,
|
|
699
|
+
"dielectric": 9.2,
|
|
700
|
+
"electronegative halogenicity": 0.5,
|
|
701
|
+
"gamma": 39.8,
|
|
702
|
+
"is water": false,
|
|
703
|
+
"refractive index 293K": 1.449,
|
|
704
|
+
"refractive index 298K": 1.449
|
|
705
|
+
},
|
|
706
|
+
"a-chlorotoluene": {
|
|
707
|
+
"acidity": 0.0,
|
|
708
|
+
"aromaticity": 0.75,
|
|
709
|
+
"basicity": 0.33,
|
|
710
|
+
"dielectric": 6.7175,
|
|
711
|
+
"electronegative halogenicity": 0.125,
|
|
712
|
+
"gamma": 53.04,
|
|
713
|
+
"is water": false,
|
|
714
|
+
"refractive index 293K": 1.5391,
|
|
715
|
+
"refractive index 298K": 1.5391
|
|
716
|
+
},
|
|
717
|
+
"acetic acid": {
|
|
718
|
+
"acidity": 0.61,
|
|
719
|
+
"aromaticity": 0.0,
|
|
720
|
+
"basicity": 0.44,
|
|
721
|
+
"dielectric": 6.2528,
|
|
722
|
+
"electronegative halogenicity": 0.0,
|
|
723
|
+
"gamma": 39.01,
|
|
724
|
+
"is water": false,
|
|
725
|
+
"refractive index 293K": 1.372,
|
|
726
|
+
"refractive index 298K": 1.372
|
|
727
|
+
},
|
|
728
|
+
"acetone": {
|
|
729
|
+
"acidity": 0.04,
|
|
730
|
+
"aromaticity": 0.0,
|
|
731
|
+
"basicity": 0.49,
|
|
732
|
+
"dielectric": 20.493,
|
|
733
|
+
"electronegative halogenicity": 0.0,
|
|
734
|
+
"gamma": 33.77,
|
|
735
|
+
"is water": false,
|
|
736
|
+
"refractive index 293K": 1.3588,
|
|
737
|
+
"refractive index 298K": 1.3588
|
|
738
|
+
},
|
|
739
|
+
"acetonitrile": {
|
|
740
|
+
"acidity": 0.07,
|
|
741
|
+
"aromaticity": 0.0,
|
|
742
|
+
"basicity": 0.32,
|
|
743
|
+
"dielectric": 35.688,
|
|
744
|
+
"electronegative halogenicity": 0.0,
|
|
745
|
+
"gamma": 41.25,
|
|
746
|
+
"is water": false,
|
|
747
|
+
"refractive index 293K": 1.3442,
|
|
748
|
+
"refractive index 298K": 1.3442
|
|
749
|
+
},
|
|
750
|
+
"acetophenone": {
|
|
751
|
+
"acidity": 0.0,
|
|
752
|
+
"aromaticity": 0.667,
|
|
753
|
+
"basicity": 0.48,
|
|
754
|
+
"dielectric": 17.44,
|
|
755
|
+
"electronegative halogenicity": 0.0,
|
|
756
|
+
"gamma": 56.19,
|
|
757
|
+
"is water": false,
|
|
758
|
+
"refractive index 293K": 1.5372,
|
|
759
|
+
"refractive index 298K": 1.5372
|
|
760
|
+
},
|
|
761
|
+
"aniline": {
|
|
762
|
+
"acidity": 0.26,
|
|
763
|
+
"aromaticity": 0.857,
|
|
764
|
+
"basicity": 0.41,
|
|
765
|
+
"dielectric": 6.8882,
|
|
766
|
+
"electronegative halogenicity": 0.0,
|
|
767
|
+
"gamma": 60.62,
|
|
768
|
+
"is water": false,
|
|
769
|
+
"refractive index 293K": 1.5863,
|
|
770
|
+
"refractive index 298K": 1.5863
|
|
771
|
+
},
|
|
772
|
+
"anisole": {
|
|
773
|
+
"acidity": 0.0,
|
|
774
|
+
"aromaticity": 0.75,
|
|
775
|
+
"basicity": 0.29,
|
|
776
|
+
"dielectric": 4.2247,
|
|
777
|
+
"electronegative halogenicity": 0.0,
|
|
778
|
+
"gamma": 50.52,
|
|
779
|
+
"is water": false,
|
|
780
|
+
"refractive index 293K": 1.5174,
|
|
781
|
+
"refractive index 298K": 1.5174
|
|
782
|
+
},
|
|
783
|
+
"benzaldehyde": {
|
|
784
|
+
"acidity": 0.0,
|
|
785
|
+
"aromaticity": 0.857,
|
|
786
|
+
"basicity": 0.39,
|
|
787
|
+
"dielectric": 18.22,
|
|
788
|
+
"electronegative halogenicity": 0.0,
|
|
789
|
+
"gamma": 54.69,
|
|
790
|
+
"is water": false,
|
|
791
|
+
"refractive index 293K": 1.5463,
|
|
792
|
+
"refractive index 298K": 1.5463
|
|
793
|
+
},
|
|
794
|
+
"benzene": {
|
|
795
|
+
"acidity": 0.0,
|
|
796
|
+
"aromaticity": 1.0,
|
|
797
|
+
"basicity": 0.14,
|
|
798
|
+
"dielectric": 2.2706,
|
|
799
|
+
"electronegative halogenicity": 0.0,
|
|
800
|
+
"gamma": 40.62,
|
|
801
|
+
"is water": false,
|
|
802
|
+
"refractive index 293K": 1.5011,
|
|
803
|
+
"refractive index 298K": 1.5011
|
|
804
|
+
},
|
|
805
|
+
"benzonitrile": {
|
|
806
|
+
"acidity": 0.0,
|
|
807
|
+
"aromaticity": 0.75,
|
|
808
|
+
"basicity": 0.33,
|
|
809
|
+
"dielectric": 25.592,
|
|
810
|
+
"electronegative halogenicity": 0.0,
|
|
811
|
+
"gamma": 55.83,
|
|
812
|
+
"is water": false,
|
|
813
|
+
"refractive index 293K": 1.5289,
|
|
814
|
+
"refractive index 298K": 1.5289
|
|
815
|
+
},
|
|
816
|
+
"benzylalcohol": {
|
|
817
|
+
"acidity": 0.33,
|
|
818
|
+
"aromaticity": 0.75,
|
|
819
|
+
"basicity": 0.56,
|
|
820
|
+
"dielectric": 12.457,
|
|
821
|
+
"electronegative halogenicity": 0.0,
|
|
822
|
+
"gamma": 52.96,
|
|
823
|
+
"is water": false,
|
|
824
|
+
"refractive index 293K": 1.5396,
|
|
825
|
+
"refractive index 298K": 1.5396
|
|
826
|
+
},
|
|
827
|
+
"bromobenzene": {
|
|
828
|
+
"acidity": 0.0,
|
|
829
|
+
"aromaticity": 0.857,
|
|
830
|
+
"basicity": 0.09,
|
|
831
|
+
"dielectric": 5.3954,
|
|
832
|
+
"electronegative halogenicity": 0.143,
|
|
833
|
+
"gamma": 50.72,
|
|
834
|
+
"is water": false,
|
|
835
|
+
"refractive index 293K": 1.5597,
|
|
836
|
+
"refractive index 298K": 1.5597
|
|
837
|
+
},
|
|
838
|
+
"bromoethane": {
|
|
839
|
+
"acidity": 0.0,
|
|
840
|
+
"aromaticity": 0.0,
|
|
841
|
+
"basicity": 0.12,
|
|
842
|
+
"dielectric": 9.01,
|
|
843
|
+
"electronegative halogenicity": 0.333,
|
|
844
|
+
"gamma": 34.0,
|
|
845
|
+
"is water": false,
|
|
846
|
+
"refractive index 293K": 1.4239,
|
|
847
|
+
"refractive index 298K": 1.4239
|
|
848
|
+
},
|
|
849
|
+
"bromoform": {
|
|
850
|
+
"acidity": 0.15,
|
|
851
|
+
"aromaticity": 0.0,
|
|
852
|
+
"basicity": 0.06,
|
|
853
|
+
"dielectric": 4.2488,
|
|
854
|
+
"electronegative halogenicity": 0.75,
|
|
855
|
+
"gamma": 64.58,
|
|
856
|
+
"is water": false,
|
|
857
|
+
"refractive index 293K": 1.6005,
|
|
858
|
+
"refractive index 298K": 1.6005
|
|
859
|
+
},
|
|
860
|
+
"butanal": {
|
|
861
|
+
"acidity": 0.0,
|
|
862
|
+
"aromaticity": 0.0,
|
|
863
|
+
"basicity": 0.45,
|
|
864
|
+
"dielectric": 13.45,
|
|
865
|
+
"electronegative halogenicity": 0.0,
|
|
866
|
+
"gamma": 35.06,
|
|
867
|
+
"is water": false,
|
|
868
|
+
"refractive index 293K": 1.3843,
|
|
869
|
+
"refractive index 298K": 1.3843
|
|
870
|
+
},
|
|
871
|
+
"butanoic acid": {
|
|
872
|
+
"acidity": 0.6,
|
|
873
|
+
"aromaticity": 0.0,
|
|
874
|
+
"basicity": 0.45,
|
|
875
|
+
"dielectric": 2.9931,
|
|
876
|
+
"electronegative halogenicity": 0.0,
|
|
877
|
+
"gamma": 37.49,
|
|
878
|
+
"is water": false,
|
|
879
|
+
"refractive index 293K": 1.398,
|
|
880
|
+
"refractive index 298K": 1.398
|
|
881
|
+
},
|
|
882
|
+
"butanone": {
|
|
883
|
+
"acidity": 0.0,
|
|
884
|
+
"aromaticity": 0.0,
|
|
885
|
+
"basicity": 0.51,
|
|
886
|
+
"dielectric": 18.246,
|
|
887
|
+
"electronegative halogenicity": 0.0,
|
|
888
|
+
"gamma": 34.5,
|
|
889
|
+
"is water": false,
|
|
890
|
+
"refractive index 293K": 1.3788,
|
|
891
|
+
"refractive index 298K": 1.3788
|
|
892
|
+
},
|
|
893
|
+
"butanonitrile": {
|
|
894
|
+
"acidity": 0.0,
|
|
895
|
+
"aromaticity": 0.0,
|
|
896
|
+
"basicity": 0.36,
|
|
897
|
+
"dielectric": 24.291,
|
|
898
|
+
"electronegative halogenicity": 0.0,
|
|
899
|
+
"gamma": 38.75,
|
|
900
|
+
"is water": false,
|
|
901
|
+
"refractive index 293K": 1.3842,
|
|
902
|
+
"refractive index 298K": 1.3842
|
|
903
|
+
},
|
|
904
|
+
"butylamine": {
|
|
905
|
+
"acidity": 0.16,
|
|
906
|
+
"aromaticity": 0.0,
|
|
907
|
+
"basicity": 0.61,
|
|
908
|
+
"dielectric": 4.6178,
|
|
909
|
+
"electronegative halogenicity": 0.0,
|
|
910
|
+
"gamma": 33.74,
|
|
911
|
+
"is water": false,
|
|
912
|
+
"refractive index 293K": 1.4031,
|
|
913
|
+
"refractive index 298K": 1.4031
|
|
914
|
+
},
|
|
915
|
+
"butylethanoate": {
|
|
916
|
+
"acidity": 0.0,
|
|
917
|
+
"aromaticity": 0.0,
|
|
918
|
+
"basicity": 0.45,
|
|
919
|
+
"dielectric": 4.9941,
|
|
920
|
+
"electronegative halogenicity": 0.0,
|
|
921
|
+
"gamma": 35.81,
|
|
922
|
+
"is water": false,
|
|
923
|
+
"refractive index 293K": 1.3941,
|
|
924
|
+
"refractive index 298K": 1.3941
|
|
925
|
+
},
|
|
926
|
+
"butylether": {
|
|
927
|
+
"acidity": 0.0,
|
|
928
|
+
"aromaticity": 0.0,
|
|
929
|
+
"basicity": 0.45,
|
|
930
|
+
"dielectric": 3.0473,
|
|
931
|
+
"electronegative halogenicity": 0.0,
|
|
932
|
+
"gamma": 35.98,
|
|
933
|
+
"is water": false,
|
|
934
|
+
"refractive index 293K": 1.3992,
|
|
935
|
+
"refractive index 298K": 1.3992
|
|
936
|
+
},
|
|
937
|
+
"carbon disulfide": {
|
|
938
|
+
"acidity": 0.0,
|
|
939
|
+
"aromaticity": 0.0,
|
|
940
|
+
"basicity": 0.07,
|
|
941
|
+
"dielectric": 2.6105,
|
|
942
|
+
"electronegative halogenicity": 0.0,
|
|
943
|
+
"gamma": 45.45,
|
|
944
|
+
"is water": false,
|
|
945
|
+
"refractive index 293K": 1.6319,
|
|
946
|
+
"refractive index 298K": 1.6319
|
|
947
|
+
},
|
|
948
|
+
"carbon tetrachloride": {
|
|
949
|
+
"acidity": 0.0,
|
|
950
|
+
"aromaticity": 0.0,
|
|
951
|
+
"basicity": 0.0,
|
|
952
|
+
"dielectric": 2.228,
|
|
953
|
+
"electronegative halogenicity": 0.8,
|
|
954
|
+
"gamma": 38.04,
|
|
955
|
+
"is water": false,
|
|
956
|
+
"refractive index 293K": 1.4601,
|
|
957
|
+
"refractive index 298K": 1.4601
|
|
958
|
+
},
|
|
959
|
+
"chlorobenzene": {
|
|
960
|
+
"acidity": 0.0,
|
|
961
|
+
"aromaticity": 0.857,
|
|
962
|
+
"basicity": 0.07,
|
|
963
|
+
"dielectric": 5.6968,
|
|
964
|
+
"electronegative halogenicity": 0.143,
|
|
965
|
+
"gamma": 47.48,
|
|
966
|
+
"is water": false,
|
|
967
|
+
"refractive index 293K": 1.5241,
|
|
968
|
+
"refractive index 298K": 1.5241
|
|
969
|
+
},
|
|
970
|
+
"chloroform": {
|
|
971
|
+
"acidity": 0.15,
|
|
972
|
+
"aromaticity": 0.0,
|
|
973
|
+
"basicity": 0.02,
|
|
974
|
+
"dielectric": 4.7113,
|
|
975
|
+
"electronegative halogenicity": 0.75,
|
|
976
|
+
"gamma": 38.39,
|
|
977
|
+
"is water": false,
|
|
978
|
+
"refractive index 293K": 1.4459,
|
|
979
|
+
"refractive index 298K": 1.4459
|
|
980
|
+
},
|
|
981
|
+
"cis-1,2-dimethylcyclohexane": {
|
|
982
|
+
"acidity": 0.0,
|
|
983
|
+
"aromaticity": 0.0,
|
|
984
|
+
"basicity": 0.0,
|
|
985
|
+
"dielectric": 2.06,
|
|
986
|
+
"electronegative halogenicity": 0.0,
|
|
987
|
+
"gamma": 36.28,
|
|
988
|
+
"is water": false,
|
|
989
|
+
"refractive index 293K": 1.436,
|
|
990
|
+
"refractive index 298K": 1.436
|
|
991
|
+
},
|
|
992
|
+
"cis-decalin": {
|
|
993
|
+
"acidity": 0.0,
|
|
994
|
+
"aromaticity": 0.0,
|
|
995
|
+
"basicity": 0.0,
|
|
996
|
+
"dielectric": 2.2139,
|
|
997
|
+
"electronegative halogenicity": 0.0,
|
|
998
|
+
"gamma": 45.45,
|
|
999
|
+
"is water": false,
|
|
1000
|
+
"refractive index 293K": 1.481,
|
|
1001
|
+
"refractive index 298K": 1.481
|
|
1002
|
+
},
|
|
1003
|
+
"cyclohexane": {
|
|
1004
|
+
"acidity": 0.0,
|
|
1005
|
+
"aromaticity": 0.0,
|
|
1006
|
+
"basicity": 0.0,
|
|
1007
|
+
"dielectric": 2.0165,
|
|
1008
|
+
"electronegative halogenicity": 0.0,
|
|
1009
|
+
"gamma": 35.48,
|
|
1010
|
+
"is water": false,
|
|
1011
|
+
"refractive index 293K": 1.4266,
|
|
1012
|
+
"refractive index 298K": 1.4266
|
|
1013
|
+
},
|
|
1014
|
+
"cyclohexanone": {
|
|
1015
|
+
"acidity": 0.0,
|
|
1016
|
+
"aromaticity": 0.0,
|
|
1017
|
+
"basicity": 0.56,
|
|
1018
|
+
"dielectric": 15.619,
|
|
1019
|
+
"electronegative halogenicity": 0.0,
|
|
1020
|
+
"gamma": 49.76,
|
|
1021
|
+
"is water": false,
|
|
1022
|
+
"refractive index 293K": 1.4507,
|
|
1023
|
+
"refractive index 298K": 1.4507
|
|
1024
|
+
},
|
|
1025
|
+
"cyclopentane": {
|
|
1026
|
+
"acidity": 0.0,
|
|
1027
|
+
"aromaticity": 0.0,
|
|
1028
|
+
"basicity": 0.0,
|
|
1029
|
+
"dielectric": 1.9608,
|
|
1030
|
+
"electronegative halogenicity": 0.0,
|
|
1031
|
+
"gamma": 31.49,
|
|
1032
|
+
"is water": false,
|
|
1033
|
+
"refractive index 293K": 1.4065,
|
|
1034
|
+
"refractive index 298K": 1.4065
|
|
1035
|
+
},
|
|
1036
|
+
"cyclopentanol": {
|
|
1037
|
+
"acidity": 0.32,
|
|
1038
|
+
"aromaticity": 0.0,
|
|
1039
|
+
"basicity": 0.56,
|
|
1040
|
+
"dielectric": 16.989,
|
|
1041
|
+
"electronegative halogenicity": 0.0,
|
|
1042
|
+
"gamma": 46.8,
|
|
1043
|
+
"is water": false,
|
|
1044
|
+
"refractive index 293K": 1.453,
|
|
1045
|
+
"refractive index 298K": 1.453
|
|
1046
|
+
},
|
|
1047
|
+
"cyclopentanone": {
|
|
1048
|
+
"acidity": 0.0,
|
|
1049
|
+
"aromaticity": 0.0,
|
|
1050
|
+
"basicity": 0.52,
|
|
1051
|
+
"dielectric": 13.58,
|
|
1052
|
+
"electronegative halogenicity": 0.0,
|
|
1053
|
+
"gamma": 47.21,
|
|
1054
|
+
"is water": false,
|
|
1055
|
+
"refractive index 293K": 1.4366,
|
|
1056
|
+
"refractive index 298K": 1.4366
|
|
1057
|
+
},
|
|
1058
|
+
"decalin (cis-trans mixture)": {
|
|
1059
|
+
"acidity": 0.0,
|
|
1060
|
+
"aromaticity": 0.0,
|
|
1061
|
+
"basicity": 0.0,
|
|
1062
|
+
"dielectric": 2.196,
|
|
1063
|
+
"electronegative halogenicity": 0.0,
|
|
1064
|
+
"gamma": 43.82,
|
|
1065
|
+
"is water": false,
|
|
1066
|
+
"refractive index 293K": 1.4753,
|
|
1067
|
+
"refractive index 298K": 1.4753
|
|
1068
|
+
},
|
|
1069
|
+
"dibromomethane": {
|
|
1070
|
+
"acidity": 0.1,
|
|
1071
|
+
"aromaticity": 0.0,
|
|
1072
|
+
"basicity": 0.1,
|
|
1073
|
+
"dielectric": 7.2273,
|
|
1074
|
+
"electronegative halogenicity": 0.667,
|
|
1075
|
+
"gamma": 56.21,
|
|
1076
|
+
"is water": false,
|
|
1077
|
+
"refractive index 293K": 1.542,
|
|
1078
|
+
"refractive index 298K": 1.542
|
|
1079
|
+
},
|
|
1080
|
+
"dichloromethane": {
|
|
1081
|
+
"acidity": 0.1,
|
|
1082
|
+
"aromaticity": 0.0,
|
|
1083
|
+
"basicity": 0.05,
|
|
1084
|
+
"dielectric": 8.93,
|
|
1085
|
+
"electronegative halogenicity": 0.667,
|
|
1086
|
+
"gamma": 39.15,
|
|
1087
|
+
"is water": false,
|
|
1088
|
+
"refractive index 293K": 1.4242,
|
|
1089
|
+
"refractive index 298K": 1.4242
|
|
1090
|
+
},
|
|
1091
|
+
"diethylamine": {
|
|
1092
|
+
"acidity": 0.08,
|
|
1093
|
+
"aromaticity": 0.0,
|
|
1094
|
+
"basicity": 0.69,
|
|
1095
|
+
"dielectric": 3.5766,
|
|
1096
|
+
"electronegative halogenicity": 0.0,
|
|
1097
|
+
"gamma": 28.57,
|
|
1098
|
+
"is water": false,
|
|
1099
|
+
"refractive index 293K": 1.3864,
|
|
1100
|
+
"refractive index 298K": 1.3864
|
|
1101
|
+
},
|
|
1102
|
+
"diethylether": {
|
|
1103
|
+
"acidity": 0.0,
|
|
1104
|
+
"aromaticity": 0.0,
|
|
1105
|
+
"basicity": 0.41,
|
|
1106
|
+
"dielectric": 4.24,
|
|
1107
|
+
"electronegative halogenicity": 0.0,
|
|
1108
|
+
"gamma": 23.96,
|
|
1109
|
+
"is water": false,
|
|
1110
|
+
"refractive index 293K": 1.3526,
|
|
1111
|
+
"refractive index 298K": 1.3526
|
|
1112
|
+
},
|
|
1113
|
+
"diethylsulfide": {
|
|
1114
|
+
"acidity": 0.0,
|
|
1115
|
+
"aromaticity": 0.0,
|
|
1116
|
+
"basicity": 0.32,
|
|
1117
|
+
"dielectric": 5.723,
|
|
1118
|
+
"electronegative halogenicity": 0.0,
|
|
1119
|
+
"gamma": 35.36,
|
|
1120
|
+
"is water": false,
|
|
1121
|
+
"refractive index 293K": 1.443,
|
|
1122
|
+
"refractive index 298K": 1.443
|
|
1123
|
+
},
|
|
1124
|
+
"diiodomethane": {
|
|
1125
|
+
"acidity": 0.05,
|
|
1126
|
+
"aromaticity": 0.0,
|
|
1127
|
+
"basicity": 0.23,
|
|
1128
|
+
"dielectric": 5.32,
|
|
1129
|
+
"electronegative halogenicity": 0.0,
|
|
1130
|
+
"gamma": 95.25,
|
|
1131
|
+
"is water": false,
|
|
1132
|
+
"refractive index 293K": 1.7425,
|
|
1133
|
+
"refractive index 298K": 1.7425
|
|
1134
|
+
},
|
|
1135
|
+
"diisopropyl ether": {
|
|
1136
|
+
"acidity": 0.0,
|
|
1137
|
+
"aromaticity": 0.0,
|
|
1138
|
+
"basicity": 0.41,
|
|
1139
|
+
"dielectric": 3.38,
|
|
1140
|
+
"electronegative halogenicity": 0.0,
|
|
1141
|
+
"gamma": 24.86,
|
|
1142
|
+
"is water": false,
|
|
1143
|
+
"refractive index 293K": 1.3679,
|
|
1144
|
+
"refractive index 298K": 1.3679
|
|
1145
|
+
},
|
|
1146
|
+
"dimethyldisulfide": {
|
|
1147
|
+
"acidity": 0.0,
|
|
1148
|
+
"aromaticity": 0.0,
|
|
1149
|
+
"basicity": 0.28,
|
|
1150
|
+
"dielectric": 9.6,
|
|
1151
|
+
"electronegative halogenicity": 0.0,
|
|
1152
|
+
"gamma": 48.06,
|
|
1153
|
+
"is water": false,
|
|
1154
|
+
"refractive index 293K": 1.5289,
|
|
1155
|
+
"refractive index 298K": 1.5289
|
|
1156
|
+
},
|
|
1157
|
+
"dimethylsulfoxide": {
|
|
1158
|
+
"acidity": 0.0,
|
|
1159
|
+
"aromaticity": 0.0,
|
|
1160
|
+
"basicity": 0.88,
|
|
1161
|
+
"dielectric": 46.826,
|
|
1162
|
+
"electronegative halogenicity": 0.0,
|
|
1163
|
+
"gamma": 61.78,
|
|
1164
|
+
"is water": false,
|
|
1165
|
+
"refractive index 293K": 1.4783,
|
|
1166
|
+
"refractive index 298K": 1.4783
|
|
1167
|
+
},
|
|
1168
|
+
"diphenylether": {
|
|
1169
|
+
"acidity": 0.0,
|
|
1170
|
+
"aromaticity": 0.923,
|
|
1171
|
+
"basicity": 0.2,
|
|
1172
|
+
"dielectric": 3.73,
|
|
1173
|
+
"electronegative halogenicity": 0.0,
|
|
1174
|
+
"gamma": 38.5,
|
|
1175
|
+
"is water": false,
|
|
1176
|
+
"refractive index 293K": 1.5787,
|
|
1177
|
+
"refractive index 298K": 1.5787
|
|
1178
|
+
},
|
|
1179
|
+
"dipropylamine": {
|
|
1180
|
+
"acidity": 0.08,
|
|
1181
|
+
"aromaticity": 0.0,
|
|
1182
|
+
"basicity": 0.69,
|
|
1183
|
+
"dielectric": 2.9112,
|
|
1184
|
+
"electronegative halogenicity": 0.0,
|
|
1185
|
+
"gamma": 32.11,
|
|
1186
|
+
"is water": false,
|
|
1187
|
+
"refractive index 293K": 1.405,
|
|
1188
|
+
"refractive index 298K": 1.405
|
|
1189
|
+
},
|
|
1190
|
+
"ethanethiol": {
|
|
1191
|
+
"acidity": 0.0,
|
|
1192
|
+
"aromaticity": 0.0,
|
|
1193
|
+
"basicity": 0.24,
|
|
1194
|
+
"dielectric": 6.667,
|
|
1195
|
+
"electronegative halogenicity": 0.0,
|
|
1196
|
+
"gamma": 33.22,
|
|
1197
|
+
"is water": false,
|
|
1198
|
+
"refractive index 293K": 1.431,
|
|
1199
|
+
"refractive index 298K": 1.431
|
|
1200
|
+
},
|
|
1201
|
+
"ethanol": {
|
|
1202
|
+
"acidity": 0.37,
|
|
1203
|
+
"aromaticity": 0.0,
|
|
1204
|
+
"basicity": 0.48,
|
|
1205
|
+
"dielectric": 24.852,
|
|
1206
|
+
"electronegative halogenicity": 0.0,
|
|
1207
|
+
"gamma": 31.62,
|
|
1208
|
+
"is water": false,
|
|
1209
|
+
"refractive index 293K": 1.3611,
|
|
1210
|
+
"refractive index 298K": 1.3611
|
|
1211
|
+
},
|
|
1212
|
+
"ethylbenzene": {
|
|
1213
|
+
"acidity": 0.0,
|
|
1214
|
+
"aromaticity": 0.75,
|
|
1215
|
+
"basicity": 0.15,
|
|
1216
|
+
"dielectric": 2.4339,
|
|
1217
|
+
"electronegative halogenicity": 0.0,
|
|
1218
|
+
"gamma": 41.38,
|
|
1219
|
+
"is water": false,
|
|
1220
|
+
"refractive index 293K": 1.4959,
|
|
1221
|
+
"refractive index 298K": 1.4959
|
|
1222
|
+
},
|
|
1223
|
+
"ethylethanoate": {
|
|
1224
|
+
"acidity": 0.0,
|
|
1225
|
+
"aromaticity": 0.0,
|
|
1226
|
+
"basicity": 0.45,
|
|
1227
|
+
"dielectric": 5.9867,
|
|
1228
|
+
"electronegative halogenicity": 0.0,
|
|
1229
|
+
"gamma": 33.67,
|
|
1230
|
+
"is water": false,
|
|
1231
|
+
"refractive index 293K": 1.3723,
|
|
1232
|
+
"refractive index 298K": 1.3723
|
|
1233
|
+
},
|
|
1234
|
+
"ethylmethanoate": {
|
|
1235
|
+
"acidity": 0.0,
|
|
1236
|
+
"aromaticity": 0.0,
|
|
1237
|
+
"basicity": 0.38,
|
|
1238
|
+
"dielectric": 8.331,
|
|
1239
|
+
"electronegative halogenicity": 0.0,
|
|
1240
|
+
"gamma": 33.36,
|
|
1241
|
+
"is water": false,
|
|
1242
|
+
"refractive index 293K": 1.3599,
|
|
1243
|
+
"refractive index 298K": 1.3599
|
|
1244
|
+
},
|
|
1245
|
+
"ethylphenylether": {
|
|
1246
|
+
"acidity": 0.0,
|
|
1247
|
+
"aromaticity": 0.667,
|
|
1248
|
+
"basicity": 0.32,
|
|
1249
|
+
"dielectric": 4.1797,
|
|
1250
|
+
"electronegative halogenicity": 0.0,
|
|
1251
|
+
"gamma": 46.65,
|
|
1252
|
+
"is water": false,
|
|
1253
|
+
"refractive index 293K": 1.5076,
|
|
1254
|
+
"refractive index 298K": 1.5076
|
|
1255
|
+
},
|
|
1256
|
+
"fluorobenzene": {
|
|
1257
|
+
"acidity": 0.0,
|
|
1258
|
+
"aromaticity": 0.857,
|
|
1259
|
+
"basicity": 0.1,
|
|
1260
|
+
"dielectric": 5.42,
|
|
1261
|
+
"electronegative halogenicity": 0.143,
|
|
1262
|
+
"gamma": 38.37,
|
|
1263
|
+
"is water": false,
|
|
1264
|
+
"refractive index 293K": 1.4684,
|
|
1265
|
+
"refractive index 298K": 1.4684
|
|
1266
|
+
},
|
|
1267
|
+
"formamide": {
|
|
1268
|
+
"acidity": 0.62,
|
|
1269
|
+
"aromaticity": 0.0,
|
|
1270
|
+
"basicity": 0.6,
|
|
1271
|
+
"dielectric": 108.94,
|
|
1272
|
+
"electronegative halogenicity": 0.0,
|
|
1273
|
+
"gamma": 82.08,
|
|
1274
|
+
"is water": false,
|
|
1275
|
+
"refractive index 293K": 1.4472,
|
|
1276
|
+
"refractive index 298K": 1.4472
|
|
1277
|
+
},
|
|
1278
|
+
"formicacid": {
|
|
1279
|
+
"acidity": 0.75,
|
|
1280
|
+
"aromaticity": 0.0,
|
|
1281
|
+
"basicity": 0.38,
|
|
1282
|
+
"dielectric": 51.1,
|
|
1283
|
+
"electronegative halogenicity": 0.0,
|
|
1284
|
+
"gamma": 53.44,
|
|
1285
|
+
"is water": false,
|
|
1286
|
+
"refractive index 293K": 1.3714,
|
|
1287
|
+
"refractive index 298K": 1.3714
|
|
1288
|
+
},
|
|
1289
|
+
"hexanoicacid": {
|
|
1290
|
+
"acidity": 0.6,
|
|
1291
|
+
"aromaticity": 0.0,
|
|
1292
|
+
"basicity": 0.45,
|
|
1293
|
+
"dielectric": 2.6,
|
|
1294
|
+
"electronegative halogenicity": 0.0,
|
|
1295
|
+
"gamma": 39.65,
|
|
1296
|
+
"is water": false,
|
|
1297
|
+
"refractive index 293K": 1.4163,
|
|
1298
|
+
"refractive index 298K": 1.4163
|
|
1299
|
+
},
|
|
1300
|
+
"iodobenzene": {
|
|
1301
|
+
"acidity": 0.0,
|
|
1302
|
+
"aromaticity": 0.857,
|
|
1303
|
+
"basicity": 0.12,
|
|
1304
|
+
"dielectric": 4.547,
|
|
1305
|
+
"electronegative halogenicity": 0.0,
|
|
1306
|
+
"gamma": 55.72,
|
|
1307
|
+
"is water": false,
|
|
1308
|
+
"refractive index 293K": 1.62,
|
|
1309
|
+
"refractive index 298K": 1.62
|
|
1310
|
+
},
|
|
1311
|
+
"iodoethane": {
|
|
1312
|
+
"acidity": 0.0,
|
|
1313
|
+
"aromaticity": 0.0,
|
|
1314
|
+
"basicity": 0.15,
|
|
1315
|
+
"dielectric": 7.6177,
|
|
1316
|
+
"electronegative halogenicity": 0.0,
|
|
1317
|
+
"gamma": 40.96,
|
|
1318
|
+
"is water": false,
|
|
1319
|
+
"refractive index 293K": 1.5133,
|
|
1320
|
+
"refractive index 298K": 1.5133
|
|
1321
|
+
},
|
|
1322
|
+
"iodomethane": {
|
|
1323
|
+
"acidity": 0.0,
|
|
1324
|
+
"aromaticity": 0.0,
|
|
1325
|
+
"basicity": 0.13,
|
|
1326
|
+
"dielectric": 6.865,
|
|
1327
|
+
"electronegative halogenicity": 0.0,
|
|
1328
|
+
"gamma": 43.67,
|
|
1329
|
+
"is water": false,
|
|
1330
|
+
"refractive index 293K": 1.538,
|
|
1331
|
+
"refractive index 298K": 1.538
|
|
1332
|
+
},
|
|
1333
|
+
"isopropylbenzene": {
|
|
1334
|
+
"acidity": 0.0,
|
|
1335
|
+
"aromaticity": 0.667,
|
|
1336
|
+
"basicity": 0.16,
|
|
1337
|
+
"dielectric": 2.3712,
|
|
1338
|
+
"electronegative halogenicity": 0.0,
|
|
1339
|
+
"gamma": 39.85,
|
|
1340
|
+
"is water": false,
|
|
1341
|
+
"refractive index 293K": 1.4915,
|
|
1342
|
+
"refractive index 298K": 1.4915
|
|
1343
|
+
},
|
|
1344
|
+
"m-cresol": {
|
|
1345
|
+
"acidity": 0.57,
|
|
1346
|
+
"aromaticity": 0.75,
|
|
1347
|
+
"basicity": 0.34,
|
|
1348
|
+
"dielectric": 12.44,
|
|
1349
|
+
"electronegative halogenicity": 0.0,
|
|
1350
|
+
"gamma": 51.37,
|
|
1351
|
+
"is water": false,
|
|
1352
|
+
"refractive index 293K": 1.5438,
|
|
1353
|
+
"refractive index 298K": 1.5438
|
|
1354
|
+
},
|
|
1355
|
+
"m-xylene": {
|
|
1356
|
+
"acidity": 0.0,
|
|
1357
|
+
"aromaticity": 0.75,
|
|
1358
|
+
"basicity": 0.16,
|
|
1359
|
+
"dielectric": 2.3478,
|
|
1360
|
+
"electronegative halogenicity": 0.0,
|
|
1361
|
+
"gamma": 40.98,
|
|
1362
|
+
"is water": false,
|
|
1363
|
+
"refractive index 293K": 1.4972,
|
|
1364
|
+
"refractive index 298K": 1.4972
|
|
1365
|
+
},
|
|
1366
|
+
"mesitylene": {
|
|
1367
|
+
"acidity": 0.0,
|
|
1368
|
+
"aromaticity": 0.667,
|
|
1369
|
+
"basicity": 0.19,
|
|
1370
|
+
"dielectric": 2.265,
|
|
1371
|
+
"electronegative halogenicity": 0.0,
|
|
1372
|
+
"gamma": 39.65,
|
|
1373
|
+
"is water": false,
|
|
1374
|
+
"refractive index 293K": 1.4994,
|
|
1375
|
+
"refractive index 298K": 1.4994
|
|
1376
|
+
},
|
|
1377
|
+
"methanol": {
|
|
1378
|
+
"acidity": 0.43,
|
|
1379
|
+
"aromaticity": 0.0,
|
|
1380
|
+
"basicity": 0.47,
|
|
1381
|
+
"dielectric": 32.613,
|
|
1382
|
+
"electronegative halogenicity": 0.0,
|
|
1383
|
+
"gamma": 31.77,
|
|
1384
|
+
"is water": false,
|
|
1385
|
+
"refractive index 293K": 1.3288,
|
|
1386
|
+
"refractive index 298K": 1.3288
|
|
1387
|
+
},
|
|
1388
|
+
"methylbenzoate": {
|
|
1389
|
+
"acidity": 0.0,
|
|
1390
|
+
"aromaticity": 0.6,
|
|
1391
|
+
"basicity": 0.46,
|
|
1392
|
+
"dielectric": 6.7367,
|
|
1393
|
+
"electronegative halogenicity": 0.0,
|
|
1394
|
+
"gamma": 53.5,
|
|
1395
|
+
"is water": false,
|
|
1396
|
+
"refractive index 293K": 1.5164,
|
|
1397
|
+
"refractive index 298K": 1.5164
|
|
1398
|
+
},
|
|
1399
|
+
"methylbutanoate": {
|
|
1400
|
+
"acidity": 0.0,
|
|
1401
|
+
"aromaticity": 0.0,
|
|
1402
|
+
"basicity": 0.45,
|
|
1403
|
+
"dielectric": 5.5607,
|
|
1404
|
+
"electronegative halogenicity": 0.0,
|
|
1405
|
+
"gamma": 35.44,
|
|
1406
|
+
"is water": false,
|
|
1407
|
+
"refractive index 293K": 1.3878,
|
|
1408
|
+
"refractive index 298K": 1.3878
|
|
1409
|
+
},
|
|
1410
|
+
"methylcyclohexane": {
|
|
1411
|
+
"acidity": 0.0,
|
|
1412
|
+
"aromaticity": 0.0,
|
|
1413
|
+
"basicity": 0.0,
|
|
1414
|
+
"dielectric": 2.024,
|
|
1415
|
+
"electronegative halogenicity": 0.0,
|
|
1416
|
+
"gamma": 33.52,
|
|
1417
|
+
"is water": false,
|
|
1418
|
+
"refractive index 293K": 1.4231,
|
|
1419
|
+
"refractive index 298K": 1.4231
|
|
1420
|
+
},
|
|
1421
|
+
"methylethanoate": {
|
|
1422
|
+
"acidity": 0.0,
|
|
1423
|
+
"aromaticity": 0.0,
|
|
1424
|
+
"basicity": 0.45,
|
|
1425
|
+
"dielectric": 6.8615,
|
|
1426
|
+
"electronegative halogenicity": 0.0,
|
|
1427
|
+
"gamma": 35.59,
|
|
1428
|
+
"is water": false,
|
|
1429
|
+
"refractive index 293K": 1.3614,
|
|
1430
|
+
"refractive index 298K": 1.3614
|
|
1431
|
+
},
|
|
1432
|
+
"methylmethanoate": {
|
|
1433
|
+
"acidity": 0.0,
|
|
1434
|
+
"aromaticity": 0.0,
|
|
1435
|
+
"basicity": 0.38,
|
|
1436
|
+
"dielectric": 8.8377,
|
|
1437
|
+
"electronegative halogenicity": 0.0,
|
|
1438
|
+
"gamma": 35.06,
|
|
1439
|
+
"is water": false,
|
|
1440
|
+
"refractive index 293K": 1.3433,
|
|
1441
|
+
"refractive index 298K": 1.3433
|
|
1442
|
+
},
|
|
1443
|
+
"methylpropanoate": {
|
|
1444
|
+
"acidity": 0.0,
|
|
1445
|
+
"aromaticity": 0.0,
|
|
1446
|
+
"basicity": 0.45,
|
|
1447
|
+
"dielectric": 6.0777,
|
|
1448
|
+
"electronegative halogenicity": 0.0,
|
|
1449
|
+
"gamma": 35.18,
|
|
1450
|
+
"is water": false,
|
|
1451
|
+
"refractive index 293K": 1.3775,
|
|
1452
|
+
"refractive index 298K": 1.3775
|
|
1453
|
+
},
|
|
1454
|
+
"n-butylbenzene": {
|
|
1455
|
+
"acidity": 0.0,
|
|
1456
|
+
"aromaticity": 0.6,
|
|
1457
|
+
"basicity": 0.15,
|
|
1458
|
+
"dielectric": 2.36,
|
|
1459
|
+
"electronegative halogenicity": 0.0,
|
|
1460
|
+
"gamma": 41.33,
|
|
1461
|
+
"is water": false,
|
|
1462
|
+
"refractive index 293K": 1.4898,
|
|
1463
|
+
"refractive index 298K": 1.4898
|
|
1464
|
+
},
|
|
1465
|
+
"n-decane": {
|
|
1466
|
+
"acidity": 0.0,
|
|
1467
|
+
"aromaticity": 0.0,
|
|
1468
|
+
"basicity": 0.0,
|
|
1469
|
+
"dielectric": 1.9846,
|
|
1470
|
+
"electronegative halogenicity": 0.0,
|
|
1471
|
+
"gamma": 33.64,
|
|
1472
|
+
"is water": false,
|
|
1473
|
+
"refractive index 293K": 1.4102,
|
|
1474
|
+
"refractive index 298K": 1.4102
|
|
1475
|
+
},
|
|
1476
|
+
"n-dodecane": {
|
|
1477
|
+
"acidity": 0.0,
|
|
1478
|
+
"aromaticity": 0.0,
|
|
1479
|
+
"basicity": 0.0,
|
|
1480
|
+
"dielectric": 2.006,
|
|
1481
|
+
"electronegative halogenicity": 0.0,
|
|
1482
|
+
"gamma": 35.85,
|
|
1483
|
+
"is water": false,
|
|
1484
|
+
"refractive index 293K": 1.4216,
|
|
1485
|
+
"refractive index 298K": 1.4216
|
|
1486
|
+
},
|
|
1487
|
+
"n-heptane": {
|
|
1488
|
+
"acidity": 0.0,
|
|
1489
|
+
"aromaticity": 0.0,
|
|
1490
|
+
"basicity": 0.0,
|
|
1491
|
+
"dielectric": 1.9113,
|
|
1492
|
+
"electronegative halogenicity": 0.0,
|
|
1493
|
+
"gamma": 28.28,
|
|
1494
|
+
"is water": false,
|
|
1495
|
+
"refractive index 293K": 1.3878,
|
|
1496
|
+
"refractive index 298K": 1.3878
|
|
1497
|
+
},
|
|
1498
|
+
"n-hexadecane": {
|
|
1499
|
+
"acidity": 0.0,
|
|
1500
|
+
"aromaticity": 0.0,
|
|
1501
|
+
"basicity": 0.0,
|
|
1502
|
+
"dielectric": 2.0402,
|
|
1503
|
+
"electronegative halogenicity": 0.0,
|
|
1504
|
+
"gamma": 38.93,
|
|
1505
|
+
"is water": false,
|
|
1506
|
+
"refractive index 293K": 1.4345,
|
|
1507
|
+
"refractive index 298K": 1.4345
|
|
1508
|
+
},
|
|
1509
|
+
"n-hexane": {
|
|
1510
|
+
"acidity": 0.0,
|
|
1511
|
+
"aromaticity": 0.0,
|
|
1512
|
+
"basicity": 0.0,
|
|
1513
|
+
"dielectric": 1.8819,
|
|
1514
|
+
"electronegative halogenicity": 0.0,
|
|
1515
|
+
"gamma": 25.75,
|
|
1516
|
+
"is water": false,
|
|
1517
|
+
"refractive index 293K": 1.3749,
|
|
1518
|
+
"refractive index 298K": 1.3749
|
|
1519
|
+
},
|
|
1520
|
+
"n-nonane": {
|
|
1521
|
+
"acidity": 0.0,
|
|
1522
|
+
"aromaticity": 0.0,
|
|
1523
|
+
"basicity": 0.0,
|
|
1524
|
+
"dielectric": 1.9605,
|
|
1525
|
+
"electronegative halogenicity": 0.0,
|
|
1526
|
+
"gamma": 32.21,
|
|
1527
|
+
"is water": false,
|
|
1528
|
+
"refractive index 293K": 1.4054,
|
|
1529
|
+
"refractive index 298K": 1.4054
|
|
1530
|
+
},
|
|
1531
|
+
"n-octane": {
|
|
1532
|
+
"acidity": 0.0,
|
|
1533
|
+
"aromaticity": 0.0,
|
|
1534
|
+
"basicity": 0.0,
|
|
1535
|
+
"dielectric": 1.9406,
|
|
1536
|
+
"electronegative halogenicity": 0.0,
|
|
1537
|
+
"gamma": 30.43,
|
|
1538
|
+
"is water": false,
|
|
1539
|
+
"refractive index 293K": 1.3974,
|
|
1540
|
+
"refractive index 298K": 1.3974
|
|
1541
|
+
},
|
|
1542
|
+
"n-pentadecane": {
|
|
1543
|
+
"acidity": 0.0,
|
|
1544
|
+
"aromaticity": 0.0,
|
|
1545
|
+
"basicity": 0.0,
|
|
1546
|
+
"dielectric": 2.0333,
|
|
1547
|
+
"electronegative halogenicity": 0.0,
|
|
1548
|
+
"gamma": 38.34,
|
|
1549
|
+
"is water": false,
|
|
1550
|
+
"refractive index 293K": 1.4315,
|
|
1551
|
+
"refractive index 298K": 1.4315
|
|
1552
|
+
},
|
|
1553
|
+
"n-pentane": {
|
|
1554
|
+
"acidity": 0.0,
|
|
1555
|
+
"aromaticity": 0.0,
|
|
1556
|
+
"basicity": 0.0,
|
|
1557
|
+
"dielectric": 1.8371,
|
|
1558
|
+
"electronegative halogenicity": 0.0,
|
|
1559
|
+
"gamma": 22.3,
|
|
1560
|
+
"is water": false,
|
|
1561
|
+
"refractive index 293K": 1.3575,
|
|
1562
|
+
"refractive index 298K": 1.3575
|
|
1563
|
+
},
|
|
1564
|
+
"n-undecane": {
|
|
1565
|
+
"acidity": 0.0,
|
|
1566
|
+
"aromaticity": 0.0,
|
|
1567
|
+
"basicity": 0.0,
|
|
1568
|
+
"dielectric": 1.991,
|
|
1569
|
+
"electronegative halogenicity": 0.0,
|
|
1570
|
+
"gamma": 34.85,
|
|
1571
|
+
"is water": false,
|
|
1572
|
+
"refractive index 293K": 1.4398,
|
|
1573
|
+
"refractive index 298K": 1.4398
|
|
1574
|
+
},
|
|
1575
|
+
"nitrobenzene": {
|
|
1576
|
+
"acidity": 0.0,
|
|
1577
|
+
"aromaticity": 0.667,
|
|
1578
|
+
"basicity": 0.28,
|
|
1579
|
+
"dielectric": 34.809,
|
|
1580
|
+
"electronegative halogenicity": 0.0,
|
|
1581
|
+
"gamma": 57.54,
|
|
1582
|
+
"is water": false,
|
|
1583
|
+
"refractive index 293K": 1.5562,
|
|
1584
|
+
"refractive index 298K": 1.5562
|
|
1585
|
+
},
|
|
1586
|
+
"nitroethane": {
|
|
1587
|
+
"acidity": 0.02,
|
|
1588
|
+
"aromaticity": 0.0,
|
|
1589
|
+
"basicity": 0.33,
|
|
1590
|
+
"dielectric": 28.29,
|
|
1591
|
+
"electronegative halogenicity": 0.0,
|
|
1592
|
+
"gamma": 46.25,
|
|
1593
|
+
"is water": false,
|
|
1594
|
+
"refractive index 293K": 1.3917,
|
|
1595
|
+
"refractive index 298K": 1.3917
|
|
1596
|
+
},
|
|
1597
|
+
"nitromethane": {
|
|
1598
|
+
"acidity": 0.06,
|
|
1599
|
+
"aromaticity": 0.0,
|
|
1600
|
+
"basicity": 0.31,
|
|
1601
|
+
"dielectric": 36.562,
|
|
1602
|
+
"electronegative halogenicity": 0.0,
|
|
1603
|
+
"gamma": 52.58,
|
|
1604
|
+
"is water": false,
|
|
1605
|
+
"refractive index 293K": 1.3817,
|
|
1606
|
+
"refractive index 298K": 1.3817
|
|
1607
|
+
},
|
|
1608
|
+
"o-chlorotoluene": {
|
|
1609
|
+
"acidity": 0.0,
|
|
1610
|
+
"aromaticity": 0.75,
|
|
1611
|
+
"basicity": 0.07,
|
|
1612
|
+
"dielectric": 4.6331,
|
|
1613
|
+
"electronegative halogenicity": 0.125,
|
|
1614
|
+
"gamma": 47.43,
|
|
1615
|
+
"is water": false,
|
|
1616
|
+
"refractive index 293K": 1.5268,
|
|
1617
|
+
"refractive index 298K": 1.5268
|
|
1618
|
+
},
|
|
1619
|
+
"o-cresol": {
|
|
1620
|
+
"acidity": 0.52,
|
|
1621
|
+
"aromaticity": 0.75,
|
|
1622
|
+
"basicity": 0.3,
|
|
1623
|
+
"dielectric": 6.76,
|
|
1624
|
+
"electronegative halogenicity": 0.0,
|
|
1625
|
+
"gamma": 53.11,
|
|
1626
|
+
"is water": false,
|
|
1627
|
+
"refractive index 293K": 1.5361,
|
|
1628
|
+
"refractive index 298K": 1.5361
|
|
1629
|
+
},
|
|
1630
|
+
"o-dichlorobenzene": {
|
|
1631
|
+
"acidity": 0.0,
|
|
1632
|
+
"aromaticity": 0.75,
|
|
1633
|
+
"basicity": 0.04,
|
|
1634
|
+
"dielectric": 9.9949,
|
|
1635
|
+
"electronegative halogenicity": 0.25,
|
|
1636
|
+
"gamma": 52.72,
|
|
1637
|
+
"is water": false,
|
|
1638
|
+
"refractive index 293K": 1.5515,
|
|
1639
|
+
"refractive index 298K": 1.5515
|
|
1640
|
+
},
|
|
1641
|
+
"o-nitrotoluene": {
|
|
1642
|
+
"acidity": 0.0,
|
|
1643
|
+
"aromaticity": 0.6,
|
|
1644
|
+
"basicity": 0.27,
|
|
1645
|
+
"dielectric": 25.669,
|
|
1646
|
+
"electronegative halogenicity": 0.0,
|
|
1647
|
+
"gamma": 59.12,
|
|
1648
|
+
"is water": false,
|
|
1649
|
+
"refractive index 293K": 1.545,
|
|
1650
|
+
"refractive index 298K": 1.545
|
|
1651
|
+
},
|
|
1652
|
+
"o-xylene": {
|
|
1653
|
+
"acidity": 0.0,
|
|
1654
|
+
"aromaticity": 0.75,
|
|
1655
|
+
"basicity": 0.16,
|
|
1656
|
+
"dielectric": 2.5454,
|
|
1657
|
+
"electronegative halogenicity": 0.0,
|
|
1658
|
+
"gamma": 42.83,
|
|
1659
|
+
"is water": false,
|
|
1660
|
+
"refractive index 293K": 1.5055,
|
|
1661
|
+
"refractive index 298K": 1.5055
|
|
1662
|
+
},
|
|
1663
|
+
"p-isopropyltoluene": {
|
|
1664
|
+
"acidity": 0.0,
|
|
1665
|
+
"aromaticity": 0.6,
|
|
1666
|
+
"basicity": 0.19,
|
|
1667
|
+
"dielectric": 2.2322,
|
|
1668
|
+
"electronegative halogenicity": 0.0,
|
|
1669
|
+
"gamma": 38.34,
|
|
1670
|
+
"is water": false,
|
|
1671
|
+
"refractive index 293K": 1.4909,
|
|
1672
|
+
"refractive index 298K": 1.4909
|
|
1673
|
+
},
|
|
1674
|
+
"p-xylene": {
|
|
1675
|
+
"acidity": 0.0,
|
|
1676
|
+
"aromaticity": 0.75,
|
|
1677
|
+
"basicity": 0.16,
|
|
1678
|
+
"dielectric": 2.2705,
|
|
1679
|
+
"electronegative halogenicity": 0.0,
|
|
1680
|
+
"gamma": 40.32,
|
|
1681
|
+
"is water": false,
|
|
1682
|
+
"refractive index 293K": 1.4958,
|
|
1683
|
+
"refractive index 298K": 1.4958
|
|
1684
|
+
},
|
|
1685
|
+
"pentanal": {
|
|
1686
|
+
"acidity": 0.0,
|
|
1687
|
+
"aromaticity": 0.0,
|
|
1688
|
+
"basicity": 0.4,
|
|
1689
|
+
"dielectric": 10.0,
|
|
1690
|
+
"electronegative halogenicity": 0.0,
|
|
1691
|
+
"gamma": 36.62,
|
|
1692
|
+
"is water": false,
|
|
1693
|
+
"refractive index 293K": 1.3944,
|
|
1694
|
+
"refractive index 298K": 1.3944
|
|
1695
|
+
},
|
|
1696
|
+
"pentanoic acid": {
|
|
1697
|
+
"acidity": 0.6,
|
|
1698
|
+
"aromaticity": 0.0,
|
|
1699
|
+
"basicity": 0.45,
|
|
1700
|
+
"dielectric": 2.6924,
|
|
1701
|
+
"electronegative halogenicity": 0.0,
|
|
1702
|
+
"gamma": 38.4,
|
|
1703
|
+
"is water": false,
|
|
1704
|
+
"refractive index 293K": 1.4085,
|
|
1705
|
+
"refractive index 298K": 1.4085
|
|
1706
|
+
},
|
|
1707
|
+
"pentyl ethanoate": {
|
|
1708
|
+
"acidity": 0.0,
|
|
1709
|
+
"aromaticity": 0.0,
|
|
1710
|
+
"basicity": 0.45,
|
|
1711
|
+
"dielectric": 4.7297,
|
|
1712
|
+
"electronegative halogenicity": 0.0,
|
|
1713
|
+
"gamma": 36.23,
|
|
1714
|
+
"is water": false,
|
|
1715
|
+
"refractive index 293K": 1.4023,
|
|
1716
|
+
"refractive index 298K": 1.4023
|
|
1717
|
+
},
|
|
1718
|
+
"pentylamine": {
|
|
1719
|
+
"acidity": 0.16,
|
|
1720
|
+
"aromaticity": 0.0,
|
|
1721
|
+
"basicity": 0.61,
|
|
1722
|
+
"dielectric": 4.201,
|
|
1723
|
+
"electronegative halogenicity": 0.0,
|
|
1724
|
+
"gamma": 35.54,
|
|
1725
|
+
"is water": false,
|
|
1726
|
+
"refractive index 293K": 1.448,
|
|
1727
|
+
"refractive index 298K": 1.448
|
|
1728
|
+
},
|
|
1729
|
+
"perfluorobenzene": {
|
|
1730
|
+
"acidity": 0.0,
|
|
1731
|
+
"aromaticity": 0.5,
|
|
1732
|
+
"basicity": 0.0,
|
|
1733
|
+
"dielectric": 2.029,
|
|
1734
|
+
"electronegative halogenicity": 0.5,
|
|
1735
|
+
"gamma": 31.74,
|
|
1736
|
+
"is water": false,
|
|
1737
|
+
"refractive index 293K": 1.3777,
|
|
1738
|
+
"refractive index 298K": 1.3777
|
|
1739
|
+
},
|
|
1740
|
+
"propanal": {
|
|
1741
|
+
"acidity": 0.0,
|
|
1742
|
+
"aromaticity": 0.0,
|
|
1743
|
+
"basicity": 0.45,
|
|
1744
|
+
"dielectric": 18.5,
|
|
1745
|
+
"electronegative halogenicity": 0.0,
|
|
1746
|
+
"gamma": 32.48,
|
|
1747
|
+
"is water": false,
|
|
1748
|
+
"refractive index 293K": 1.3636,
|
|
1749
|
+
"refractive index 298K": 1.3636
|
|
1750
|
+
},
|
|
1751
|
+
"propanoic acid": {
|
|
1752
|
+
"acidity": 0.6,
|
|
1753
|
+
"aromaticity": 0.0,
|
|
1754
|
+
"basicity": 0.45,
|
|
1755
|
+
"dielectric": 3.44,
|
|
1756
|
+
"electronegative halogenicity": 0.0,
|
|
1757
|
+
"gamma": 37.71,
|
|
1758
|
+
"is water": false,
|
|
1759
|
+
"refractive index 293K": 1.3869,
|
|
1760
|
+
"refractive index 298K": 1.3869
|
|
1761
|
+
},
|
|
1762
|
+
"propanonitrile": {
|
|
1763
|
+
"acidity": 0.02,
|
|
1764
|
+
"aromaticity": 0.0,
|
|
1765
|
+
"basicity": 0.36,
|
|
1766
|
+
"dielectric": 29.324,
|
|
1767
|
+
"electronegative halogenicity": 0.0,
|
|
1768
|
+
"gamma": 38.5,
|
|
1769
|
+
"is water": false,
|
|
1770
|
+
"refractive index 293K": 1.3655,
|
|
1771
|
+
"refractive index 298K": 1.3655
|
|
1772
|
+
},
|
|
1773
|
+
"propyl ethanoate": {
|
|
1774
|
+
"acidity": 0.0,
|
|
1775
|
+
"aromaticity": 0.0,
|
|
1776
|
+
"basicity": 0.45,
|
|
1777
|
+
"dielectric": 5.5205,
|
|
1778
|
+
"electronegative halogenicity": 0.0,
|
|
1779
|
+
"gamma": 34.26,
|
|
1780
|
+
"is water": false,
|
|
1781
|
+
"refractive index 293K": 1.3842,
|
|
1782
|
+
"refractive index 298K": 1.3842
|
|
1783
|
+
},
|
|
1784
|
+
"propylamine": {
|
|
1785
|
+
"acidity": 0.16,
|
|
1786
|
+
"aromaticity": 0.0,
|
|
1787
|
+
"basicity": 0.61,
|
|
1788
|
+
"dielectric": 4.9912,
|
|
1789
|
+
"electronegative halogenicity": 0.0,
|
|
1790
|
+
"gamma": 31.31,
|
|
1791
|
+
"is water": false,
|
|
1792
|
+
"refractive index 293K": 1.387,
|
|
1793
|
+
"refractive index 298K": 1.387
|
|
1794
|
+
},
|
|
1795
|
+
"pyridine": {
|
|
1796
|
+
"acidity": 0.0,
|
|
1797
|
+
"aromaticity": 0.833,
|
|
1798
|
+
"basicity": 0.52,
|
|
1799
|
+
"dielectric": 12.978,
|
|
1800
|
+
"electronegative halogenicity": 0.0,
|
|
1801
|
+
"gamma": 52.62,
|
|
1802
|
+
"is water": false,
|
|
1803
|
+
"refractive index 293K": 1.5095,
|
|
1804
|
+
"refractive index 298K": 1.5095
|
|
1805
|
+
},
|
|
1806
|
+
"sec-butylbenzene": {
|
|
1807
|
+
"acidity": 0.0,
|
|
1808
|
+
"aromaticity": 0.6,
|
|
1809
|
+
"basicity": 0.16,
|
|
1810
|
+
"dielectric": 2.3446,
|
|
1811
|
+
"electronegative halogenicity": 0.0,
|
|
1812
|
+
"gamma": 40.35,
|
|
1813
|
+
"is water": false,
|
|
1814
|
+
"refractive index 293K": 1.4895,
|
|
1815
|
+
"refractive index 298K": 1.4895
|
|
1816
|
+
},
|
|
1817
|
+
"tert-butylbenzene": {
|
|
1818
|
+
"acidity": 0.0,
|
|
1819
|
+
"aromaticity": 0.6,
|
|
1820
|
+
"basicity": 0.16,
|
|
1821
|
+
"dielectric": 2.3447,
|
|
1822
|
+
"electronegative halogenicity": 0.0,
|
|
1823
|
+
"gamma": 39.78,
|
|
1824
|
+
"is water": false,
|
|
1825
|
+
"refractive index 293K": 1.4927,
|
|
1826
|
+
"refractive index 298K": 1.4927
|
|
1827
|
+
},
|
|
1828
|
+
"tetrachloroethene": {
|
|
1829
|
+
"acidity": 0.0,
|
|
1830
|
+
"aromaticity": 0.0,
|
|
1831
|
+
"basicity": 0.0,
|
|
1832
|
+
"dielectric": 2.268,
|
|
1833
|
+
"electronegative halogenicity": 0.667,
|
|
1834
|
+
"gamma": 45.19,
|
|
1835
|
+
"is water": false,
|
|
1836
|
+
"refractive index 293K": 1.5053,
|
|
1837
|
+
"refractive index 298K": 1.5053
|
|
1838
|
+
},
|
|
1839
|
+
"tetrahydrofuran": {
|
|
1840
|
+
"acidity": 0.0,
|
|
1841
|
+
"aromaticity": 0.0,
|
|
1842
|
+
"basicity": 0.48,
|
|
1843
|
+
"dielectric": 7.4257,
|
|
1844
|
+
"electronegative halogenicity": 0.0,
|
|
1845
|
+
"gamma": 39.44,
|
|
1846
|
+
"is water": false,
|
|
1847
|
+
"refractive index 293K": 1.405,
|
|
1848
|
+
"refractive index 298K": 1.405
|
|
1849
|
+
},
|
|
1850
|
+
"tetrahydrothiophene-S,S-dioxide": {
|
|
1851
|
+
"acidity": 0.0,
|
|
1852
|
+
"aromaticity": 0.0,
|
|
1853
|
+
"basicity": 0.88,
|
|
1854
|
+
"dielectric": 43.962,
|
|
1855
|
+
"electronegative halogenicity": 0.0,
|
|
1856
|
+
"gamma": 87.49,
|
|
1857
|
+
"is water": false,
|
|
1858
|
+
"refractive index 293K": 1.4833,
|
|
1859
|
+
"refractive index 298K": 1.4833
|
|
1860
|
+
},
|
|
1861
|
+
"tetralin": {
|
|
1862
|
+
"acidity": 0.0,
|
|
1863
|
+
"aromaticity": 0.6,
|
|
1864
|
+
"basicity": 0.19,
|
|
1865
|
+
"dielectric": 2.771,
|
|
1866
|
+
"electronegative halogenicity": 0.0,
|
|
1867
|
+
"gamma": 47.74,
|
|
1868
|
+
"is water": false,
|
|
1869
|
+
"refractive index 293K": 1.5413,
|
|
1870
|
+
"refractive index 298K": 1.5413
|
|
1871
|
+
},
|
|
1872
|
+
"thiophene": {
|
|
1873
|
+
"acidity": 0.0,
|
|
1874
|
+
"aromaticity": 0.8,
|
|
1875
|
+
"basicity": 0.15,
|
|
1876
|
+
"dielectric": 2.727,
|
|
1877
|
+
"electronegative halogenicity": 0.0,
|
|
1878
|
+
"gamma": 44.16,
|
|
1879
|
+
"is water": false,
|
|
1880
|
+
"refractive index 293K": 1.5289,
|
|
1881
|
+
"refractive index 298K": 1.5289
|
|
1882
|
+
},
|
|
1883
|
+
"thiophenol": {
|
|
1884
|
+
"acidity": 0.09,
|
|
1885
|
+
"aromaticity": 0.857,
|
|
1886
|
+
"basicity": 0.16,
|
|
1887
|
+
"dielectric": 4.2728,
|
|
1888
|
+
"electronegative halogenicity": 0.0,
|
|
1889
|
+
"gamma": 55.24,
|
|
1890
|
+
"is water": false,
|
|
1891
|
+
"refractive index 293K": 1.5893,
|
|
1892
|
+
"refractive index 298K": 1.5893
|
|
1893
|
+
},
|
|
1894
|
+
"toluene": {
|
|
1895
|
+
"acidity": 0.0,
|
|
1896
|
+
"aromaticity": 0.857,
|
|
1897
|
+
"basicity": 0.14,
|
|
1898
|
+
"dielectric": 2.3741,
|
|
1899
|
+
"electronegative halogenicity": 0.0,
|
|
1900
|
+
"gamma": 40.2,
|
|
1901
|
+
"is water": false,
|
|
1902
|
+
"refractive index 293K": 1.4961,
|
|
1903
|
+
"refractive index 298K": 1.4961
|
|
1904
|
+
},
|
|
1905
|
+
"trans-decalin": {
|
|
1906
|
+
"acidity": 0.0,
|
|
1907
|
+
"aromaticity": 0.0,
|
|
1908
|
+
"basicity": 0.0,
|
|
1909
|
+
"dielectric": 2.1781,
|
|
1910
|
+
"electronegative halogenicity": 0.0,
|
|
1911
|
+
"gamma": 42.19,
|
|
1912
|
+
"is water": false,
|
|
1913
|
+
"refractive index 293K": 1.4695,
|
|
1914
|
+
"refractive index 298K": 1.4695
|
|
1915
|
+
},
|
|
1916
|
+
"tributylphosphate": {
|
|
1917
|
+
"acidity": 0.0,
|
|
1918
|
+
"aromaticity": 0.0,
|
|
1919
|
+
"basicity": 1.21,
|
|
1920
|
+
"dielectric": 8.1781,
|
|
1921
|
+
"electronegative halogenicity": 0.0,
|
|
1922
|
+
"gamma": 27.55,
|
|
1923
|
+
"is water": false,
|
|
1924
|
+
"refractive index 293K": 1.4224,
|
|
1925
|
+
"refractive index 298K": 1.4224
|
|
1926
|
+
},
|
|
1927
|
+
"trichloroethene": {
|
|
1928
|
+
"acidity": 0.08,
|
|
1929
|
+
"aromaticity": 0.0,
|
|
1930
|
+
"basicity": 0.03,
|
|
1931
|
+
"dielectric": 3.422,
|
|
1932
|
+
"electronegative halogenicity": 0.6,
|
|
1933
|
+
"gamma": 41.45,
|
|
1934
|
+
"is water": false,
|
|
1935
|
+
"refractive index 293K": 1.4773,
|
|
1936
|
+
"refractive index 298K": 1.4773
|
|
1937
|
+
},
|
|
1938
|
+
"triethylamine": {
|
|
1939
|
+
"acidity": 0.0,
|
|
1940
|
+
"aromaticity": 0.0,
|
|
1941
|
+
"basicity": 0.79,
|
|
1942
|
+
"dielectric": 2.3832,
|
|
1943
|
+
"electronegative halogenicity": 0.0,
|
|
1944
|
+
"gamma": 29.1,
|
|
1945
|
+
"is water": false,
|
|
1946
|
+
"refractive index 293K": 1.401,
|
|
1947
|
+
"refractive index 298K": 1.401
|
|
1948
|
+
},
|
|
1949
|
+
"water": {
|
|
1950
|
+
"acidity": -1.0,
|
|
1951
|
+
"aromaticity": -1.0,
|
|
1952
|
+
"basicity": -1.0,
|
|
1953
|
+
"dielectric": 78.355,
|
|
1954
|
+
"electronegative halogenicity": -1.0,
|
|
1955
|
+
"gamma": -1.0,
|
|
1956
|
+
"is water": true,
|
|
1957
|
+
"refractive index 293K": 1.3328,
|
|
1958
|
+
"refractive index 298K": 1.3328
|
|
1959
|
+
},
|
|
1960
|
+
"xylene (mixture)": {
|
|
1961
|
+
"acidity": 0.0,
|
|
1962
|
+
"aromaticity": 0.75,
|
|
1963
|
+
"basicity": 0.16,
|
|
1964
|
+
"dielectric": 2.3879,
|
|
1965
|
+
"electronegative halogenicity": 0.0,
|
|
1966
|
+
"gamma": 41.38,
|
|
1967
|
+
"is water": false,
|
|
1968
|
+
"refractive index 293K": 1.4995,
|
|
1969
|
+
"refractive index 298K": 1.4995
|
|
1970
|
+
}
|
|
1971
|
+
}
|