pychnosz 1.1.4__cp311-cp311-win_amd64.whl

pychnosz/data/extdata/OBIGT/organic_gas.csv

@@ -0,0 +1,268 @@
+name,abbrv,formula,state,ref1,ref2,date,model,E_units,G,H,S,Cp,V,a1.a,a2.b,a3.c,a4.d,c1.e,c2.f,omega.lambda,z.T
+methane,CH4,CH4,gas,WEP+82,Kel60,1987-12-15,CGL,cal,-12122.4,-17880,44.518,NA,0,5.65,0.01144,-46000,0,0,0,0,1500
+"carbon monoxide",CO,CO,gas,Sho93.1,NA,1993-03-18,CGL,cal,-32784,-26416,47.245,6.965,0,6.79,0.00098,-11000,0,0,0,0,5000
+ethylene,C2H4,C2H4,gas,Sho93.1,NA,1993-09-22,CGL,cal,16280,12500,52.45,10.41,0,8.35,0.00015,-229000,0,0,0,0,1000
+phenol,C6H6O,C6H6O,gas,DSM+97.1,NA,1997-11-20,CGL,cal,-7860,-23030,75.4,24.5,0,30.424,0.027016,-1243100,0,0,0,0,1000
+ortho-cresol,C7H8O,C7H8O,gas,DSM+97.1,NA,1997-11-20,CGL,cal,-8860,-30740,85.5,30.9,0,33.455,0.037071,-1208800,0,0,0,0,1000
+meta-cresol,C7H8O,C7H8O,gas,DSM+97.1,NA,1997-11-20,CGL,cal,-9690,-31630,85.3,29.2,0,33.367,0.037017,-1347200,0,0,0,0,1000
+para-cresol,C7H8O,C7H8O,gas,DSM+97.1,NA,1997-11-20,CGL,cal,-7380,-29970,83.2,29.5,0,32.661,0.037582,-1278200,0,0,0,0,1000
+"2,3-dimethylphenol","2,3DMP",C6H3OHCH3CH3,gas,DSM+97.2,NA,2006-08-27,CGL,cal,-6884,-37996,87.2,38.1,0,38.808,0.047072,-1312900,0,0,0,0,1000
+"2,4-dimethylphenol","2,4DMP",C6H3OHCH3CH3,gas,DSM+97.2,NA,2006-08-27,CGL,cal,-9393,-38296,94.6,36.6,0,36.342,0.047637,-1243900,0,0,0,0,1000
+"2,5-dimethylphenol","2,5DMP",C6H3OHCH3CH3,gas,DSM+97.2,NA,2006-08-27,CGL,cal,-7951,-38296,89.7,36.6,0,37.288,0.047072,-1312900,0,0,0,0,1000
+"2,6-dimethylphenol","2,6DMP",C6H3OHCH3CH3,gas,DSM+97.2,NA,2006-08-27,CGL,cal,-7757,-37996,90.1,38.1,0,37.236,0.047126,-1174500,0,0,0,0,1000
+"3,4-dimethylphenol","3,4DMP",C6H3OHCH3CH3,gas,DSM+97.2,NA,2006-08-27,CGL,cal,-7656,-38296,88.8,36.6,0,37.914,0.047583,-1382300,0,0,0,0,1000
+"3,5-dimethylphenol","3,5DMP",C6H3OHCH3CH3,gas,DSM+97.2,NA,2006-08-27,CGL,cal,-8078,-38296,88.2,35.4,0,37.67,0.047018,-1451300,0,0,0,0,1000
+ethane,NA,C2H6,gas,HOKR98,NA,2006-08-30,CGL,cal,-7887,-20201,55.14,12.51,0,1.59,0.0404,0,0,-1.263E-05,0,0,1000
+propane,NA,C3H8,gas,HOKR98,NA,2006-08-30,CGL,cal,-5886,-25132,64.5,17.58,0,0.13,0.0659,0,0,-2.475E-05,0,0,1000
+butane,NA,C4H10,gas,HOKR98,NA,2006-08-30,CGL,cal,-3887,-30062,73.86,23.53,0,0.97,0.0854,0,0,-3.264E-05,0,0,1000
+pentane,NA,C5H12,gas,HOKR98,NA,2006-08-30,CGL,cal,-1886,-34993,83.22,28.65,0,0.67,0.1056,0,0,-3.939E-05,0,0,1000
+hexane,NA,C6H14,gas,HOKR98,NA,2006-08-30,CGL,cal,112,-39924,92.58,34.03,0,0.1,0.1289,0,0,-5.062E-05,0,0,1000
+heptane,NA,C7H16,gas,HOKR98,NA,2006-08-30,CGL,cal,2114,-44854,101.94,39.44,0,-0.37,0.1518,0,0,-6.135E-05,0,0,1000
+octane,NA,C8H18,gas,HOKR98,NA,2006-08-30,CGL,cal,4112,-49785,111.3,44.84,0,-0.91,0.175,0,0,-7.232E-05,0,0,1000
+nonane,NA,C9H20,gas,HOKR98,NA,2006-08-30,CGL,cal,6113,-54716,120.66,50.24,0,-1.45,0.1982,0,0,-8.329E-05,0,0,1000
+decane,NA,C10H22,gas,HOKR98,NA,2006-08-30,CGL,cal,8115,-59646,130.01,55.64,0,-1.99,0.2214,0,0,-9.426E-05,0,0,1000
+undecane,NA,C11H24,gas,HOKR98,NA,2006-08-30,CGL,cal,10116,-64577,139.37,61.04,0,-2.53,0.2446,0,0,-0.00010523,0,0,1000
+dodecane,NA,C12H26,gas,HOKR98,NA,2006-08-30,CGL,cal,12114,-69508,148.73,66.45,0,-3.07,0.2678,0,0,-0.0001162,0,0,1000
+tridecane,NA,C13H28,gas,HOKR98,NA,2006-08-30,CGL,cal,14115,-74439,158.09,71.85,0,-3.61,0.291,0,0,-0.00012717,0,0,1000
+tetradecane,NA,C14H30,gas,HOKR98,NA,2006-08-30,CGL,cal,16114,-79369,167.45,77.25,0,-4.15,0.3142,0,0,-0.00013814,0,0,1000
+pentadecane,NA,C15H32,gas,HOKR98,NA,2006-08-30,CGL,cal,18115,-84300,176.81,82.65,0,-4.69,0.3374,0,0,-0.00014911,0,0,1000
+hexadecane,NA,C16H34,gas,HOKR98,NA,2006-08-30,CGL,cal,20113,-89231,186.17,88.06,0,-5.22,0.3606,0,0,-0.00016008,0,0,1000
+heptadecane,NA,C17H36,gas,HOKR98,NA,2006-08-30,CGL,cal,22115,-94161,195.53,93.46,0,-5.76,0.3838,0,0,-0.00017105,0,0,1000
+octadecane,NA,C18H38,gas,HOKR98,NA,2006-08-30,CGL,cal,24113,-99092,204.89,98.87,0,-6.3,0.407,0,0,-0.00018202,0,0,1000
+nonadecane,NA,C19H40,gas,HOKR98,NA,2006-08-30,CGL,cal,26114,-104023,214.25,104.27,0,-6.84,0.4302,0,0,-0.00019299,0,0,1000
+eicosane,NA,C20H42,gas,HOKR98,NA,2006-08-30,CGL,cal,28115,-108953,223.6,109.67,0,-7.38,0.4534,0,0,-0.00020396,0,0,1000
+heneicosane,NA,C21H44,gas,HOKR98,NA,2006-08-30,CGL,cal,30116,-113884,232.96,115.07,0,-7.92,0.4766,0,0,-0.00021493,0,0,1000
+docosane,NA,C22H46,gas,HOKR98,NA,2006-08-30,CGL,cal,32114,-118815,242.32,120.47,0,-8.46,0.4998,0,0,-0.0002259,0,0,1000
+tricosane,NA,C23H48,gas,HOKR98,NA,2006-08-30,CGL,cal,34115,-123746,251.68,125.88,0,-9,0.523,0,0,-0.00023687,0,0,1000
+tetracosane,NA,C24H50,gas,HOKR98,NA,2006-08-30,CGL,cal,36114,-128676,261.04,131.28,0,-9.54,0.5462,0,0,-0.00024784,0,0,1000
+pentacosane,NA,C25H52,gas,HOKR98,NA,2006-08-30,CGL,cal,38115,-133607,270.4,136.68,0,-10.08,0.5694,0,0,-0.00025881,0,0,1000
+hexacosane,NA,C26H54,gas,HOKR98,NA,2006-08-30,CGL,cal,40113,-138538,279.76,142.09,0,-10.61,0.5926,0,0,-0.00026978,0,0,1000
+heptacosane,NA,C27H56,gas,HOKR98,NA,2006-08-30,CGL,cal,42115,-143468,289.12,147.49,0,-11.15,0.6158,0,0,-0.00028075,0,0,1000
+octacosane,NA,C28H58,gas,HOKR98,NA,2006-08-30,CGL,cal,44113,-148399,298.48,152.9,0,-11.69,0.639,0,0,-0.00029172,0,0,1000
+nonacosane,NA,C29H60,gas,HOKR98,NA,2006-08-30,CGL,cal,46114,-153330,307.84,158.3,0,-12.23,0.6622,0,0,-0.00030269,0,0,1000
+triacontane,NA,C30H62,gas,HOKR98,NA,2006-08-30,CGL,cal,48116,-158260,317.19,163.7,0,-12.77,0.6854,0,0,-0.00031366,0,0,1000
+hentriacontane,NA,C31H64,gas,HOKR98,NA,2006-08-30,CGL,cal,50117,-163191,326.55,169.1,0,-13.31,0.7086,0,0,-0.00032463,0,0,1000
+dotriacontane,NA,C32H66,gas,HOKR98,NA,2006-08-30,CGL,cal,52115,-168122,335.91,174.5,0,-13.85,0.7318,0,0,-0.0003356,0,0,1000
+tritriacontane,NA,C33H68,gas,HOKR98,NA,2006-08-30,CGL,cal,54116,-173053,345.27,179.91,0,-14.39,0.755,0,0,-0.00034657,0,0,1000
+tetratriacontane,NA,C34H70,gas,HOKR98,NA,2006-08-30,CGL,cal,56115,-177983,354.63,185.31,0,-14.93,0.7782,0,0,-0.00035754,0,0,1000
+pentatriacontane,NA,C35H72,gas,HOKR98,NA,2006-08-30,CGL,cal,58116,-182914,363.99,190.71,0,-15.47,0.8014,0,0,-0.00036851,0,0,1000
+hexatriacontane,NA,C36H74,gas,HOKR98,NA,2006-08-30,CGL,cal,60114,-187845,373.35,196.12,0,-16,0.8246,0,0,-0.00037948,0,0,1000
+heptatriacontane,NA,C37H76,gas,HOKR98,NA,2006-08-30,CGL,cal,62116,-192775,382.71,201.52,0,-16.54,0.8478,0,0,-0.00039045,0,0,1000
+octatriacontane,NA,C38H78,gas,HOKR98,NA,2006-08-30,CGL,cal,64114,-197706,392.07,206.93,0,-17.08,0.871,0,0,-0.00040142,0,0,1000
+nonatriacontane,NA,C39H80,gas,HOKR98,NA,2006-08-30,CGL,cal,66115,-202637,401.43,212.33,0,-17.62,0.8942,0,0,-0.00041239,0,0,1000
+tetracontane,NA,C40H82,gas,HOKR98,NA,2006-08-30,CGL,cal,68117,-207567,410.78,217.73,0,-18.16,0.9174,0,0,-0.00042336,0,0,1000
+2-methylpropane,NA,C4H10,gas,HOKR98,NA,2006-08-30,CGL,cal,-4807,-32201,69.77,23.14,0,0.06,0.0866,0,0,-3.083E-05,0,0,1000
+2-methylbutane,NA,C5H12,gas,HOKR98,NA,2006-08-30,CGL,cal,-2919,-36592,81.32,28.55,0,-0.48,0.1098,0,0,-4.18E-05,0,0,1000
+2-methylpentane,NA,C6H14,gas,HOKR98,NA,2006-08-30,CGL,cal,-921,-41523,90.68,33.95,0,-1.01,0.133,0,0,-5.277E-05,0,0,1000
+2-methylhexane,NA,C7H16,gas,HOKR98,NA,2006-08-30,CGL,cal,1081,-46453,100.04,39.35,0,-1.55,0.1562,0,0,-6.374E-05,0,0,1000
+2-methylheptane,NA,C8H18,gas,HOKR98,NA,2006-08-30,CGL,cal,3078,-51384,109.4,44.76,0,-2.09,0.1794,0,0,-7.471E-05,0,0,1000
+2-methyloctane,NA,C9H20,gas,HOKR98,NA,2006-08-30,CGL,cal,5080,-56315,118.76,50.16,0,-2.63,0.2026,0,0,-8.568E-05,0,0,1000
+2-methylnonane,NA,C10H22,gas,HOKR98,NA,2006-08-30,CGL,cal,7082,-61245,128.11,55.56,0,-3.17,0.2258,0,0,-9.665E-05,0,0,1000
+2-methyldecane,NA,C11H24,gas,HOKR98,NA,2006-08-30,CGL,cal,9083,-66176,137.47,60.96,0,-3.71,0.249,0,0,-0.00010762,0,0,1000
+2-methylundecane,NA,C12H26,gas,HOKR98,NA,2006-08-30,CGL,cal,11081,-71107,146.83,66.36,0,-4.25,0.2722,0,0,-0.00011859,0,0,1000
+2-methyldodecane,NA,C13H28,gas,HOKR98,NA,2006-08-30,CGL,cal,13083,-76037,156.19,71.77,0,-4.79,0.2954,0,0,-0.00012956,0,0,1000
+2-methyltridecane,NA,C14H30,gas,HOKR98,NA,2006-08-30,CGL,cal,15081,-80968,165.55,77.17,0,-5.33,0.3186,0,0,-0.00014053,0,0,1000
+2-methyltetradecane,NA,C15H32,gas,HOKR98,NA,2006-08-30,CGL,cal,17082,-85899,174.91,82.57,0,-5.87,0.3418,0,0,-0.0001515,0,0,1000
+2-methylpentadecane,NA,C16H34,gas,HOKR98,NA,2006-08-30,CGL,cal,19080,-90830,184.27,87.98,0,-6.4,0.365,0,0,-0.00016247,0,0,1000
+2-methylhexadecane,NA,C17H36,gas,HOKR98,NA,2006-08-30,CGL,cal,21082,-95760,193.63,93.38,0,-6.94,0.3882,0,0,-0.00017344,0,0,1000
+2-methylheptadecane,NA,C18H38,gas,HOKR98,NA,2006-08-30,CGL,cal,23080,-100691,202.99,98.79,0,-7.48,0.4114,0,0,-0.00018441,0,0,1000
+2-methyloctadecane,NA,C19H40,gas,HOKR98,NA,2006-08-30,CGL,cal,25081,-105622,212.35,104.19,0,-8.02,0.4346,0,0,-0.00019538,0,0,1000
+2-methylnonadecane,NA,C20H42,gas,HOKR98,NA,2006-08-30,CGL,cal,27083,-110552,221.7,109.59,0,-8.56,0.4578,0,0,-0.00020635,0,0,1000
+3-methylpentane,NA,C6H14,gas,HOKR98,NA,2006-08-30,CGL,cal,-791,-40982,92.06,33.65,0,-1.62,0.1343,0,0,-5.371E-05,0,0,1000
+3-methylhexane,NA,C7H16,gas,HOKR98,NA,2006-08-30,CGL,cal,1210,-45913,101.42,39.05,0,-2.16,0.1575,0,0,-6.468E-05,0,0,1000
+3-methylheptane,NA,C8H18,gas,HOKR98,NA,2006-08-30,CGL,cal,3208,-50844,110.78,44.45,0,-2.7,0.1807,0,0,-7.565E-05,0,0,1000
+3-methyloctane,NA,C9H20,gas,HOKR98,NA,2006-08-30,CGL,cal,5212,-55775,120.13,49.85,0,-3.24,0.2039,0,0,-8.662E-05,0,0,1000
+3-methylnonane,NA,C10H22,gas,HOKR98,NA,2006-08-30,CGL,cal,7211,-60705,129.49,55.25,0,-3.78,0.2271,0,0,-9.759E-05,0,0,1000
+3-methyldecane,NA,C11H24,gas,HOKR98,NA,2006-08-30,CGL,cal,9212,-65636,138.85,60.66,0,-4.32,0.2503,0,0,-0.00010856,0,0,1000
+3-methylundecane,NA,C12H26,gas,HOKR98,NA,2006-08-30,CGL,cal,11210,-70567,148.21,66.06,0,-4.86,0.2735,0,0,-0.00011953,0,0,1000
+3-methyldodecane,NA,C13H28,gas,HOKR98,NA,2006-08-30,CGL,cal,13212,-75497,157.57,71.46,0,-5.4,0.2967,0,0,-0.0001305,0,0,1000
+3-methyltridecane,NA,C14H30,gas,HOKR98,NA,2006-08-30,CGL,cal,15210,-80428,166.93,76.86,0,-5.94,0.3199,0,0,-0.00014147,0,0,1000
+3-methyltetradecane,NA,C15H32,gas,HOKR98,NA,2006-08-30,CGL,cal,17211,-85359,176.29,82.26,0,-6.48,0.3431,0,0,-0.00015244,0,0,1000
+3-methylpentadecane,NA,C16H34,gas,HOKR98,NA,2006-08-30,CGL,cal,19210,-90289,185.65,87.68,0,-7.01,0.3663,0,0,-0.00016341,0,0,1000
+3-methylhexadecane,NA,C17H36,gas,HOKR98,NA,2006-08-30,CGL,cal,21211,-95220,195.01,93.08,0,-7.55,0.3895,0,0,-0.00017438,0,0,1000
+3-methylheptadecane,NA,C18H38,gas,HOKR98,NA,2006-08-30,CGL,cal,23209,-100151,204.37,98.48,0,-8.09,0.4127,0,0,-0.00018535,0,0,1000
+3-methyloctadecane,NA,C19H40,gas,HOKR98,NA,2006-08-30,CGL,cal,25213,-105082,213.72,103.88,0,-8.63,0.4359,0,0,-0.00019632,0,0,1000
+3-methylnonadecane,NA,C20H42,gas,HOKR98,NA,2006-08-30,CGL,cal,27212,-110012,223.08,109.28,0,-9.17,0.4591,0,0,-0.00020729,0,0,1000
+"2,3-dimethylpentane",NA,C7H16,gas,HOKR98,NA,2006-08-30,CGL,cal,592,-47512,98.13,38.48,0,-4.35,0.1641,0,0,-6.86E-05,0,0,1000
+4-methylpentane,NA,C8H18,gas,HOKR98,NA,2006-08-30,CGL,cal,4031,-50844,108.02,44.71,0,-3.31,0.1846,0,0,-7.9E-05,0,0,1000
+cyclopropane,NA,C3H6,gas,HOKR98,NA,2006-08-30,CGL,cal,24965,12729,56.78,13.37,0,-4.98,0.0711,0,0,-3.205E-05,0,0,1000
+cyclobutane,NA,C4H8,gas,HOKR98,NA,2006-08-30,CGL,cal,26745,6781,63.46,17.23,0,-7.15,0.0936,0,0,-3.966E-05,0,0,1000
+cyclopentane,NA,C5H10,gas,HOKR98,NA,2006-08-30,CGL,cal,9468,-18260,70.03,19.81,0,-11.57,0.1201,0,0,-4.984E-05,0,0,1000
+cyclohexane,NA,C6H12,gas,HOKR98,NA,2006-08-30,CGL,cal,7644,-29422,71.31,25.28,0,-13.04,0.1456,0,0,-5.722E-05,0,0,1000
+cycloheptane,NA,C7H14,gas,HOKR98,NA,2006-08-30,CGL,cal,15427,-28219,81.85,29.37,0,-15.97,0.1734,0,0,-7.149E-05,0,0,1000
+cyclooctane,NA,C8H16,gas,HOKR98,NA,2006-08-30,CGL,cal,21895,-29730,87.69,33.45,0,-19.06,0.2018,0,0,-8.612E-05,0,0,1000
+methylcyclopentane,NA,C6H12,gas,HOKR98,NA,2006-08-30,CGL,cal,8147,-25970,81.2,26.2,0,-9.91,0.1382,0,0,-5.73E-05,0,0,1000
+methylcyclohexane,NA,C7H14,gas,HOKR98,NA,2006-08-30,CGL,cal,7836,-35667,82.33,32.2,0,-12.05,0.1692,0,0,-6.97E-05,0,0,1000
+toluene,NA,C7H8,gas,HOKR98,NA,2006-08-30,CGL,cal,29471,12053,76.12,24.83,0,-7.04,0.1236,0,0,-5.604E-05,0,0,1000
+"1,2-dimethylbenzene",NA,C8H10,gas,HOKR98,NA,2006-08-30,CGL,cal,29478,4603,83.71,31.34,0,-3.38,0.1336,0,0,-5.751E-05,0,0,1000
+"1,3-dimethylbenzene",NA,C8H10,gas,HOKR98,NA,2006-08-30,CGL,cal,28848,4152,84.31,30.06,0,-5.39,0.1363,0,0,-5.834E-05,0,0,1000
+"1,4-dimethylbenzene",NA,C8H10,gas,HOKR98,NA,2006-08-30,CGL,cal,28998,4302,84.31,30.13,0,-6.09,0.1397,0,0,-6.11E-05,0,0,1000
+"1,2,3-trimethylbenzene",NA,C9H12,gas,HOKR98,NA,2006-08-30,CGL,cal,29337,-2997,91.3,38.01,0,-0.68,0.1487,0,0,-6.35E-05,0,0,1000
+"1,2,4-trimethylbenzene",NA,C9H12,gas,HOKR98,NA,2006-08-30,CGL,cal,28446,-3298,93.28,35.74,0,-5.25,0.1572,0,0,-6.612E-05,0,0,1000
+"1,3,5-trimethylbenzene",NA,C9H12,gas,HOKR98,NA,2006-08-30,CGL,cal,28726,-3901,90.32,35.24,0,-4.23,0.1508,0,0,-6.179E-05,0,0,1000
+"1,2,3,4-tetramethylbenzene",NA,C10H14,gas,HOKR98,NA,2006-08-30,CGL,cal,29190,-10598,98.98,44.91,0,1.98,0.1648,0,0,-6.983E-05,0,0,1000
+pentamethylbenzene,NA,C11H16,gas,HOKR98,NA,2006-08-30,CGL,cal,28900,-18348,106.49,52.02,0,4.62,0.1818,0,0,-7.65E-05,0,0,1000
+hexamethylbenzene,NA,C12H18,gas,HOKR98,NA,2006-08-30,CGL,cal,30297,-25648,109.92,59.37,0,7.22,0.1998,0,0,-8.351E-05,0,0,1000
+benzene,NA,C6H6,gas,HOKR98,NA,2006-08-30,CGL,cal,31003,19804,64.37,19.75,0,-7.78,0.1077,0,0,-5.153E-05,0,0,1000
+ethylbenzene,NA,C8H10,gas,HOKR98,NA,2006-08-30,CGL,cal,31049,6953,86.32,30.45,0,-7.08,0.1454,0,0,-6.551E-05,0,0,1000
+n-propylbenzene,NA,C9H12,gas,HOKR98,NA,2006-08-30,CGL,cal,33050,2022,95.68,36.4,0,-6.46,0.1662,0,0,-7.529E-05,0,0,1000
+n-butylbenzene,NA,C10H14,gas,HOKR98,NA,2006-08-30,CGL,cal,35048,-2909,105.04,41.53,0,-6.6,0.1854,0,0,-8.042E-05,0,0,1000
+n-pentylbenzene,NA,C11H16,gas,HOKR98,NA,2006-08-30,CGL,cal,37049,-7840,114.4,46.93,0,-7.14,0.2086,0,0,-9.139E-05,0,0,1000
+n-hexylbenzene,NA,C12H18,gas,HOKR98,NA,2006-08-30,CGL,cal,39051,-12770,123.75,52.33,0,-7.68,0.2318,0,0,-0.00010236,0,0,1000
+n-heptylbenzene,NA,C13H20,gas,HOKR98,NA,2006-08-30,CGL,cal,41052,-17701,133.11,57.73,0,-8.22,0.255,0,0,-0.00011333,0,0,1000
+n-octylbenzene,NA,C14H22,gas,HOKR98,NA,2006-08-30,CGL,cal,43050,-22632,142.47,63.14,0,-8.76,0.2782,0,0,-0.0001243,0,0,1000
+n-nonylbenzene,NA,C15H24,gas,HOKR98,NA,2006-08-30,CGL,cal,45052,-27562,151.83,68.54,0,-9.3,0.3014,0,0,-0.00013527,0,0,1000
+n-decylbenzene,NA,C16H26,gas,HOKR98,NA,2006-08-30,CGL,cal,47050,-32493,161.19,73.95,0,-9.83,0.3246,0,0,-0.00014624,0,0,1000
+n-undecylbenzene,NA,C17H28,gas,HOKR98,NA,2006-08-30,CGL,cal,49051,-37424,170.55,79.35,0,-10.37,0.3478,0,0,-0.00015721,0,0,1000
+n-dodecylbenzene,NA,C18H30,gas,HOKR98,NA,2006-08-30,CGL,cal,51050,-42354,179.91,84.75,0,-10.91,0.371,0,0,-0.00016818,0,0,1000
+n-tridecylbenzene,NA,C19H32,gas,HOKR98,NA,2006-08-30,CGL,cal,53051,-47285,189.27,90.16,0,-11.45,0.3942,0,0,-0.00017915,0,0,1000
+n-tetradecylbenzene,NA,C20H34,gas,HOKR98,NA,2006-08-30,CGL,cal,55049,-52216,198.63,95.56,0,-11.99,0.4174,0,0,-0.00019012,0,0,1000
+methanol,NA,CH3OH,gas,HOKR98,NA,2006-08-30,CGL,cal,-38929,-48181,57.32,10.5,0,3.87,0.0241,0,0,-6.2E-06,0,0,1000
+ethanol,NA,C2H5OH,gas,HOKR98,NA,2006-08-30,CGL,cal,-40162,-56044,67.69,15.45,0,2.04,0.0507,0,0,-1.919E-05,0,0,1000
+n-propanol,NA,C3H7OH,gas,HOKR98,NA,2006-08-30,CGL,cal,-38164,-60975,77.05,20.56,0,0.68,0.076,0,0,-3.122E-05,0,0,1000
+n-butanol,NA,C4H9OH,gas,HOKR98,NA,2006-08-30,CGL,cal,-36163,-65906,86.41,25.69,0,-0.38,0.1001,0,0,-4.252E-05,0,0,1000
+n-pentanol,NA,C5H11OH,gas,HOKR98,NA,2006-08-30,CGL,cal,-34165,-70837,95.77,31.09,0,-0.92,0.1233,0,0,-5.349E-05,0,0,1000
+n-hexanol,NA,C6H13OH,gas,HOKR98,NA,2006-08-30,CGL,cal,-32163,-75767,105.13,36.5,0,-1.45,0.1465,0,0,-6.446E-05,0,0,1000
+n-heptanol,NA,C7H15OH,gas,HOKR98,NA,2006-08-30,CGL,cal,-30165,-80698,114.49,41.9,0,-1.99,0.1697,0,0,-7.543E-05,0,0,1000
+n-octanol,NA,C8H17OH,gas,HOKR98,NA,2006-08-30,CGL,cal,-28164,-85629,123.85,47.3,0,-2.53,0.1929,0,0,-8.64E-05,0,0,1000
+n-nonanol,NA,C9H19OH,gas,HOKR98,NA,2006-08-30,CGL,cal,-26165,-90559,133.21,52.7,0,-3.07,0.2161,0,0,-9.737E-05,0,0,1000
+n-decanol,NA,C10H21OH,gas,HOKR98,NA,2006-08-30,CGL,cal,-24164,-95490,142.57,58.11,0,-3.61,0.2393,0,0,-0.00010834,0,0,1000
+n-undecanol,NA,C11H23OH,gas,HOKR98,NA,2006-08-30,CGL,cal,-22166,-100421,151.93,63.51,0,-4.15,0.2625,0,0,-0.00011931,0,0,1000
+n-dodecanol,NA,C12H25OH,gas,HOKR98,NA,2006-08-30,CGL,cal,-20161,-105351,161.28,68.91,0,-4.69,0.2857,0,0,-0.00013028,0,0,1000
+n-tridecanol,NA,C13H27OH,gas,HOKR98,NA,2006-08-30,CGL,cal,-18163,-110282,170.64,74.31,0,-5.23,0.3089,0,0,-0.00014125,0,0,1000
+n-tetradecanol,NA,C14H29OH,gas,HOKR98,NA,2006-08-30,CGL,cal,-16162,-115213,180,79.71,0,-5.77,0.3321,0,0,-0.00015222,0,0,1000
+n-pentadecanol,NA,C15H31OH,gas,HOKR98,NA,2006-08-30,CGL,cal,-14164,-120114,189.36,85.12,0,-6.31,0.3553,0,0,-0.00016319,0,0,1000
+n-hexadecanol,NA,C16H33OH,gas,HOKR98,NA,2006-08-30,CGL,cal,-12162,-125074,198.72,90.53,0,-6.84,0.3785,0,0,-0.00017416,0,0,1000
+n-heptadecanol,NA,C17H35OH,gas,HOKR98,NA,2006-08-30,CGL,cal,-10164,-130005,208.08,95.93,0,-7.38,0.4017,0,0,-0.00018513,0,0,1000
+n-octadecanol,NA,C18H37OH,gas,HOKR98,NA,2006-08-30,CGL,cal,-8163,-134936,217.44,101.33,0,-7.92,0.4249,0,0,-0.0001961,0,0,1000
+n-nonadecanol,NA,C19H39OH,gas,HOKR98,NA,2006-08-30,CGL,cal,-6164,-139866,226.8,106.73,0,-8.46,0.4481,0,0,-0.00020707,0,0,1000
+n-eicosanol,NA,C20H41OH,gas,HOKR98,NA,2006-08-30,CGL,cal,-4163,-144797,236.16,112.14,0,-9,0.4713,0,0,-0.00021804,0,0,1000
+methanethiol,NA,CH3SH,gas,HOKR98,NA,2006-08-30,CGL,cal,-2568,-5645,61.18,12.01,0,4.88,0.0266,0,0,-9.03E-06,0,0,1000
+ethanethiol,NA,C2H5SH,gas,HOKR98,NA,2006-08-30,CGL,cal,-1368,-11183,71.18,17.44,0,4.43,0.0494,0,0,-1.929E-05,0,0,1000
+n-propanethiol,NA,C3H7SH,gas,HOKR98,NA,2006-08-30,CGL,cal,633,-16114,80.54,22.67,0,4.2,0.0698,0,0,-2.629E-05,0,0,1000
+n-butanethiol,NA,C4H9SH,gas,HOKR98,NA,2006-08-30,CGL,cal,2631,-21045,89.9,28.24,0,4.91,0.087,0,0,-2.94E-05,0,0,1000
+n-pentanethiol,NA,C5H11SH,gas,HOKR98,NA,2006-08-30,CGL,cal,4633,-25976,99.26,33.75,0,5.07,0.1075,0,0,-3.793E-05,0,0,1000
+n-hexanethiol,NA,C6H13SH,gas,HOKR98,NA,2006-08-30,CGL,cal,6631,-30906,108.62,39.11,0,4.43,0.1309,0,0,-4.892E-05,0,0,1000
+n-heptanethiol,NA,C7H15SH,gas,HOKR98,NA,2006-08-30,CGL,cal,8632,-35837,117.98,44.51,0,3.89,0.1541,0,0,-5.989E-05,0,0,1000
+n-octanethiol,NA,C8H17SH,gas,HOKR98,NA,2006-08-30,CGL,cal,10630,-40768,127.34,49.91,0,3.35,0.1773,0,0,-7.086E-05,0,0,1000
+n-nonanethiol,NA,C9H19SH,gas,HOKR98,NA,2006-08-30,CGL,cal,12632,-45698,136.7,55.31,0,2.81,0.2005,0,0,-8.183E-05,0,0,1000
+n-decanethiol,NA,C10H21SH,gas,HOKR98,NA,2006-08-30,CGL,cal,14630,-50629,146.06,60.72,0,2.27,0.2237,0,0,-9.28E-05,0,0,1000
+n-undecanethiol,NA,C11H23SH,gas,HOKR98,NA,2006-08-30,CGL,cal,16631,-55560,155.42,66.12,0,1.73,0.2469,0,0,-0.00010377,0,0,1000
+n-dodecanethiol,NA,C12H25SH,gas,HOKR98,NA,2006-08-30,CGL,cal,18633,-60490,164.77,71.52,0,1.19,0.2701,0,0,-0.00011474,0,0,1000
+n-tridecanethiol,NA,C13H27SH,gas,HOKR98,NA,2006-08-30,CGL,cal,20634,-65421,174.13,76.92,0,0.65,0.2933,0,0,-0.00012571,0,0,1000
+n-tetradecanethiol,NA,C14H29SH,gas,HOKR98,NA,2006-08-30,CGL,cal,22632,-70352,183.49,82.32,0,0.11,0.3165,0,0,-0.00013668,0,0,1000
+n-pentadecanethiol,NA,C15H31SH,gas,HOKR98,NA,2006-08-30,CGL,cal,24634,-75283,192.85,87.73,0,-0.43,0.3397,0,0,-0.00014765,0,0,1000
+n-hexadecanethiol,NA,C16H33SH,gas,HOKR98,NA,2006-08-30,CGL,cal,26632,-80213,202.21,93.14,0,-0.96,0.3629,0,0,-0.00015862,0,0,1000
+n-heptadecanethiol,NA,C17H35SH,gas,HOKR98,NA,2006-08-30,CGL,cal,28633,-85144,211.57,98.54,0,-1.5,0.3861,0,0,-0.00016959,0,0,1000
+n-octadecanethiol,NA,C18H37SH,gas,HOKR98,NA,2006-08-30,CGL,cal,30631,-90075,220.93,103.94,0,-2.04,0.4093,0,0,-0.00018056,0,0,1000
+n-nonadecanethiol,NA,C19H39SH,gas,HOKR98,NA,2006-08-30,CGL,cal,32633,-95005,230.29,109.34,0,-2.58,0.4325,0,0,-0.00019153,0,0,1000
+n-eicosanethiol,NA,C20H41SH,gas,HOKR98,NA,2006-08-30,CGL,cal,34631,-99936,239.65,114.75,0,-3.12,0.4557,0,0,-0.0002025,0,0,1000
+thiophenol,NA,C6H6S,gas,HOKR98,NA,2006-08-30,CGL,cal,35525,26864,80.54,25.11,0,-3.32,0.1113,0,0,-5.35E-05,0,0,1000
+acetone,NA,C3H6O,gas,HOKR98,NA,2006-08-30,CGL,cal,-36463,-51910,70.52,17.86,0,3.2,0.0548,0,0,-1.89E-05,0,0,1000
+2-butanone,NA,C4H8O,gas,HOKR98,NA,2006-08-30,CGL,cal,-35189,-57130,81.35,24.56,0,5.77,0.0705,0,0,-2.51E-05,0,0,1000
+ethylacetate,NA,C4H8O2,gas,HOKR98,NA,2006-08-30,CGL,cal,-79477,-106006,90.47,27.05,0,5.05,0.0834,0,0,-3.22E-05,0,0,1000
+pyridine,NA,C5H5N,gas,HOKR98,NA,2006-08-30,CGL,cal,44987,32995,67.62,18.71,0,-6.41,0.098,0,0,-4.61E-05,0,0,1000
+3-methylpyridine,NA,C6H7N,gas,HOKR98,NA,2006-08-30,CGL,cal,44105,25244,77.19,23.79,0,-5.75,0.1143,0,0,-5.1E-05,0,0,1000
+carbazole,NA,C12H9N,gas,HOKR98,NA,2006-08-30,CGL,cal,80714,54700,92.66,42.05,0,-11.36,0.2105,0,0,-0.0001052,0,0,1000
+quinoline,NA,C9H7N,gas,HOKR98,NA,2006-08-30,CGL,cal,66513,47926,82.22,30.88,0,-9.82,0.1599,0,0,-7.84E-05,0,0,1000
+"carbon disulfide",NA,CS2,gas,Ric01,NA,2006-09-01,CGL,cal,16093,28064,56.84,10.91,0,8.03,0.012,-61900,0,0,0,0,1000
+2-propanethiol,NA,C3H8S,gas,Ric01,NA,2006-09-01,CGL,cal,-760,-18231,78.11,22.97,0,3.45,0.0748,0,0,-3.131E-05,0,0,1000
+2-butanethiol,NA,C4H10S,gas,Ric01,NA,2006-09-01,CGL,cal,1780,-22622,87.47,28.52,0,3.63,0.0955,0,0,-4.029E-05,0,0,1000
+2-methyl-1-propanethiol,NA,C4H10S,gas,Ric01,NA,2006-09-01,CGL,cal,2012,-22643,86.62,28.31,0,2.58,0.0996,0,0,-4.461E-05,0,0,1000
+2-methyl-2-propanethiol,NA,C4H10S,gas,Ric01,NA,2006-09-01,CGL,cal,524,-25884,80.74,28.92,0,2.44,0.1022,0,0,-4.485E-05,0,0,1000
+2-methyl-1-butanethiol,NA,C5H12S,gas,Ric01,NA,2006-09-01,CGL,cal,4552,-27034,95.98,33.17,0,1.75,0.1201,0,0,-4.939E-05,0,0,1000
+2-methyl-2-butanethiol,NA,C5H12S,gas,Ric01,NA,2006-09-01,CGL,cal,2961,-29725,92.29,34.31,0,3.24,0.1193,0,0,-5.062E-05,0,0,1000
+3-methyl-1-butanethiol,NA,C5H12S,gas,Ric01,NA,2006-09-01,CGL,cal,4012,-27574,95.98,33.47,0,2.36,0.1188,0,0,-4.845E-05,0,0,1000
+3-methyl-2-butanethiol,NA,C5H12S,gas,Ric01,NA,2006-09-01,CGL,cal,3158,-29152,93.55,33.75,0,2.64,0.1185,0,0,-4.751E-05,0,0,1000
+"2,2-dimethyl-1-propanethiol",NA,C5H12S,gas,Ric01,NA,2006-09-01,CGL,cal,3372,-30065,89.77,33.4,0,1.24,0.1237,0,0,-5.307E-05,0,0,1000
+2-methyl-2-pentanethiol,NA,C6H14S,gas,Ric01,NA,2006-09-01,CGL,cal,4960,-34656,101.65,39.71,0,2.77,0.1422,0,0,-6.135E-05,0,0,1000
+"2,3-dimethyl-2-butanethiol",NA,C6H14S,gas,Ric01,NA,2006-09-01,CGL,cal,5881,-34716,98.36,39.56,0,2.28,0.1422,0,0,-5.758E-05,0,0,1000
+cyclopentanethiol,NA,C5H10S,gas,Ric01,NA,2006-09-01,CGL,cal,13755,-11381,86.38,25.78,0,-6.09,0.1224,0,0,-5.203E-05,0,0,1000
+cyclohexanethiol,NA,C6H12S,gas,Ric01,NA,2006-09-01,CGL,cal,11816,-22805,87.17,31.82,0,-6.07,0.1422,0,0,-5.066E-05,0,0,1000
+benzenethiol,NA,C6H6S,gas,Ric01,NA,2006-09-01,CGL,cal,35612,26941,80.51,25.16,0,-3.18,0.1109,0,0,-5.316E-05,0,0,1000
+phenylmethanethiol,NA,C7H8S,gas,Ric01,NA,2006-09-01,CGL,cal,37858,22257,89.87,30.78,0,-3.22,0.1327,0,0,-6.263E-05,0,0,1000
+2-thiapropane,NA,C2H6S,gas,Ric01,NA,2006-09-01,CGL,cal,1695,-8970,68.33,17.69,0,5.72,0.0448,0,0,-1.559E-05,0,0,1000
+2-thiabutane,NA,C3H8S,gas,Ric01,NA,2006-09-01,CGL,cal,2484,-14508,79.72,22.7,0,4.79,0.068,0,0,-2.655E-05,0,0,1000
+2-thiapentane,NA,C4H10S,gas,Ric01,NA,2006-09-01,CGL,cal,4484,-19438,89.08,28.04,0,4.75,0.0876,0,0,-3.181E-05,0,0,1000
+2-thiahexane,NA,C5H12S,gas,Ric01,NA,2006-09-01,CGL,cal,6484,-24369,98.44,33.06,0,4.28,0.1084,0,0,-3.987E-05,0,0,1000
+2-thiaheptane,NA,C6H14S,gas,Ric01,NA,2006-09-01,CGL,cal,8484,-29300,107.8,38.47,0,3.75,0.1316,0,0,-5.084E-05,0,0,1000
+2-thiaoctane,NA,C7H16S,gas,Ric01,NA,2006-09-01,CGL,cal,10484,-34230,117.16,43.87,0,3.21,0.1548,0,0,-6.181E-05,0,0,1000
+2-thianonane,NA,C8H18S,gas,Ric01,NA,2006-09-01,CGL,cal,12484,-39161,126.52,49.27,0,2.67,0.178,0,0,-7.278E-05,0,0,1000
+2-thiadecane,NA,C9H20S,gas,Ric01,NA,2006-09-01,CGL,cal,14484,-44092,135.87,54.67,0,2.13,0.2012,0,0,-8.375E-05,0,0,1000
+2-thiaundecane,NA,C10H22S,gas,Ric01,NA,2006-09-01,CGL,cal,16484,-49022,145.23,60.08,0,1.59,0.2244,0,0,-9.472E-05,0,0,1000
+3-thiapentane,NA,C4H10S,gas,Ric01,NA,2006-09-01,CGL,cal,4095,-20045,88.35,27.94,0,4.32,0.09,0,0,-3.617E-05,0,0,1000
+3-thiahexane,NA,C5H12S,gas,Ric01,NA,2006-09-01,CGL,cal,5684,-24976,99.08,33.08,0,3.86,0.112,0,0,-4.693E-05,0,0,1000
+4-thiaheptane,NA,C6H14S,gas,Ric01,NA,2006-09-01,CGL,cal,8095,-29907,107.07,38.48,0,3.32,0.1352,0,0,-5.79E-05,0,0,1000
+4-thiaoctane,NA,C7H16S,gas,Ric01,NA,2006-09-01,CGL,cal,9684,-34837,117.8,43.89,0,2.78,0.1584,0,0,-6.887E-05,0,0,1000
+5-thianonane,NA,C8H18S,gas,Ric01,NA,2006-09-01,CGL,cal,12094,-39768,125.79,49.29,0,2.24,0.1816,0,0,-7.984E-05,0,0,1000
+5-thiadecane,NA,C9H20S,gas,Ric01,NA,2006-09-01,CGL,cal,13684,-44699,136.52,54.69,0,1.7,0.2048,0,0,-9.081E-05,0,0,1000
+6-thiaundecane,NA,C10H22S,gas,Ric01,NA,2006-09-01,CGL,cal,16094,-49630,144.51,60.09,0,1.16,0.228,0,0,-0.00010178,0,0,1000
+3-methyl-2-thiabutane,NA,C4H10S,gas,Ric01,NA,2006-09-01,CGL,cal,3093,-21556,86.64,28.71,0,4.99,0.0898,0,0,-3.434E-05,0,0,1000
+"3,3-dimethyl-2-thiabutane",NA,C5H12S,gas,Ric01,NA,2006-09-01,CGL,cal,4374,-29209,89.28,34.5,0,3.61,0.1183,0,0,-4.934E-05,0,0,1000
+2-methyl-3-thiapentane,NA,C5H12S,gas,Ric01,NA,2006-09-01,CGL,cal,4292,-27094,96.65,34.11,0,4.45,0.113,0,0,-4.531E-05,0,0,1000
+"2,4-dimethyl-3-thiapentane",NA,C6H14S,gas,Ric01,NA,2006-09-01,CGL,cal,5313,-34142,102.19,40.53,0,3.77,0.1422,0,0,-6.339E-05,0,0,1000
+"2,2-dimethyl-3-thiapentane",NA,C6H14S,gas,Ric01,NA,2006-09-01,CGL,cal,5576,-34747,99.28,39.9,0,3.14,0.1412,0,0,-6.007E-05,0,0,1000
+"2,6-dimethyl-4-thiaheptane",NA,C8H18S,gas,Ric01,NA,2006-09-01,CGL,cal,10854,-42966,119.22,49.2,0,1.27,0.1824,0,0,-7.255E-05,0,0,1000
+"2,2,4,4-tetramethyl-3-thiapentane",NA,C8H18S,gas,Ric01,NA,2006-09-01,CGL,cal,13798,-43826,107.47,51.3,0,1.5,0.1918,0,0,-8.309E-05,0,0,1000
+"2,8-dimethyl-5-thianonane",NA,C10H22S,gas,Ric01,NA,2006-09-01,CGL,cal,14854,-52827,137.94,59.75,0,0.27,0.2276,0,0,-9.428E-05,0,0,1000
+thiacyclopropane,NA,C2H4S,gas,Ric01,NA,2006-09-01,CGL,cal,23187,19651,61.01,12.85,0,-0.7,0.053,0,0,-2.53E-05,0,0,1000
+thiacyclobutane,NA,C3H6S,gas,Ric01,NA,2006-09-01,CGL,cal,26043,14911,68.14,16.55,0,-3,0.0753,0,0,-3.26E-05,0,0,1000
+thiacyclopentane,NA,C4H8S,gas,Ric01,NA,2006-09-01,CGL,cal,11408,-7716,73.94,20.77,0,-6.1,0.103,0,0,-4.32E-05,0,0,1000
+thiacyclohexane,NA,C5H10S,gas,Ric01,NA,2006-09-01,CGL,cal,12749,-15106,77.26,25.78,0,-10.8,0.14,0,0,-5.81E-05,0,0,1000
+thiacycloheptane,NA,C6H12S,gas,Ric01,NA,2006-09-01,CGL,cal,20161,-14660,86.5,29.24,0,-20,0.1895,0,0,-8.17E-05,0,0,1000
+2-methylthiacyclopentane,NA,C5H10S,gas,Ric01,NA,2006-09-01,CGL,cal,10836,-15194,83.38,27.19,0,-4.44,0.1212,0,0,-5.065E-05,0,0,1000
+3-methylthiacyclopentane,NA,C5H10S,gas,Ric01,NA,2006-09-01,CGL,cal,12045,-14230,82.56,27.19,0,-4.44,0.1212,0,0,-5.065E-05,0,0,1000
+cyclopentyl-1-thiaethane,NA,C6H12S,gas,Ric01,NA,2006-09-01,CGL,cal,16763,-15819,94.01,31.38,0,-5.78,0.1426,0,0,-6.025E-05,0,0,1000
+"2,3-dithiabutane",NA,C2H6S2,gas,Ric01,NA,2006-09-01,CGL,cal,2687,-6998,79.28,22.53,0,8.9,0.0515,0,0,-1.943E-05,0,0,1000
+"2,3-dithiapentane",NA,C3H8S2,gas,Ric01,NA,2006-09-01,CGL,cal,3886,-12536,89.29,27.87,0,8.82,0.0718,0,0,-2.65E-05,0,0,1000
+"3,4-dithiahexane",NA,C4H10S2,gas,Ric01,NA,2006-09-01,CGL,cal,5085,-18074,99.3,33.25,0,8.61,0.0931,0,0,-3.51E-05,0,0,1000
+"3,4-dithiaheptane",NA,C5H12S2,gas,Ric01,NA,2006-09-01,CGL,cal,7085,-23004,108.66,38.57,0,8.26,0.115,0,0,-4.47E-05,0,0,1000
+"4,5-dithiaoctane",NA,C6H14S2,gas,Ric01,NA,2006-09-01,CGL,cal,9085,-27935,118.02,44.29,0,7.81,0.1387,0,0,-5.486E-05,0,0,1000
+"4,5-dithianonane",NA,C7H16S2,gas,Ric01,NA,2006-09-01,CGL,cal,11084,-32866,127.38,49.69,0,7.27,0.1619,0,0,-6.583E-05,0,0,1000
+"5,6-dithiadecane",NA,C8H18S2,gas,Ric01,NA,2006-09-01,CGL,cal,13085,-37796,136.74,55.09,0,6.73,0.1851,0,0,-7.68E-05,0,0,1000
+"5,6-dithiaundecane",NA,C9H20S2,gas,Ric01,NA,2006-09-01,CGL,cal,15087,-42727,146.09,60.49,0,6.19,0.2083,0,0,-8.777E-05,0,0,1000
+"6,7-dithiadodecane",NA,C10H22S2,gas,Ric01,NA,2006-09-01,CGL,cal,17087,-47658,155.45,65.89,0,5.65,0.2315,0,0,-9.874E-05,0,0,1000
+thiophene,NA,C4H4S,gas,Ric01,NA,2006-09-01,CGL,cal,30017,27344,66.65,17.5,0,-3.12,0.0813,0,0,-4.068E-05,0,0,1000
+2-methylthiophene,NA,C5H6S,gas,Ric01,NA,2006-09-01,CGL,cal,29469,20047,76.62,22.84,0,-1.48,0.0945,0,0,-4.338E-05,0,0,1000
+3-methylthiophene,NA,C5H6S,gas,Ric01,NA,2006-09-01,CGL,cal,29183,19812,76.79,22.74,0,-1.86,0.0961,0,0,-4.558E-05,0,0,1000
+"2,5-dimethylthiophene",NA,C6H8S,gas,Ric01,NA,2006-09-01,CGL,cal,29362,12452,84.11,28.17,0,0.16,0.1077,0,0,-4.608E-05,0,0,1000
+2-isopropylthiophene,NA,C7H10S,gas,Ric01,NA,2006-09-01,CGL,cal,32197,8587,94.24,33.47,0,-3.01,0.1407,0,0,-6.157E-05,0,0,1000
+"methyl iodide",NA,CH3I,gas,RG11,NA,2012-01-07,CGL,cal,3401.53,3209.847,61.458,10.571,0,4.395,0.023241,0,0,-8.49E-06,0,0,NA
+"ethyl iodide",NA,C2H5I,gas,RG11,NA,2012-01-07,CGL,cal,5401.53,-1720.841,70.817,15.808,0,4.12,0.044192,0,0,-1.676E-05,0,0,NA
+"n-propyl iodide",NA,C3H7I,gas,RG11,NA,2012-01-07,CGL,cal,7401.53,-6651.53,80.177,21.759,0,4.959,0.063695,0,0,-2.465E-05,0,0,NA
+"n-butyl iodide",NA,C4H9I,gas,RG11,NA,2012-01-07,CGL,cal,9401.53,-11582.218,89.536,26.879,0,4.658,0.083891,0,0,-3.14E-05,0,0,NA
+"n-pentyl iodide",NA,C5H11I,gas,RG11,NA,2012-01-07,CGL,cal,11402.247,-16512.906,98.893,32.261,0,4.089,0.107194,0,0,-4.263E-05,0,0,NA
+"n-hexyl iodide",NA,C6H13I,gas,RG11,NA,2012-01-07,CGL,cal,13402.247,-21443.595,108.253,37.663,0,3.619,0.130091,0,0,-5.336E-05,0,0,NA
+"n-heptyl iodide",NA,C7H15I,gas,RG11,NA,2012-01-07,CGL,cal,15402.247,-26374.283,117.612,43.066,0,3.078,0.153298,0,0,-6.433E-05,0,0,NA
+"n-octyl iodide",NA,C8H17I,gas,RG11,NA,2012-01-07,CGL,cal,17402.247,-31304.971,126.972,48.47,0,2.538,0.176506,0,0,-7.53E-05,0,0,NA
+"n-nonyl iodide",NA,C9H19I,gas,RG11,NA,2012-01-07,CGL,cal,19402.486,-36235.66,136.331,53.874,0,1.998,0.199713,0,0,-8.627E-05,0,0,NA
+"n-decyl iodide",NA,C10H21I,gas,RG11,NA,2012-01-07,CGL,cal,21403.203,-41166.348,145.688,59.278,0,1.458,0.222921,0,0,-9.724E-05,0,0,NA
+"isopropyl iodide",NA,C3H7I,gas,RG11,NA,2012-01-07,CGL,cal,5034.895,-9799.235,77.557,21.604,0,4.144,0.066444,0,0,-2.643E-05,0,0,NA
+"isobutyl iodide",NA,C4H9I,gas,RG11,NA,2012-01-07,CGL,cal,8130.497,-13181.166,88.432,26.436,0,2.593,0.090392,0,0,-3.495E-05,0,0,NA
+"sec-butyl iodide",NA,C4H9I,gas,RG11,NA,2012-01-07,CGL,cal,8074.092,-13695.029,86.902,26.128,0,1.984,0.091683,0,0,-3.589E-05,0,0,NA
+"tert-butyl iodide",NA,C4H9I,gas,RG11,NA,2012-01-07,CGL,cal,5894.359,-17399.618,81.788,28.444,0,4.477,0.091969,0,0,-3.884E-05,0,0,NA
+diiodomethane,NA,CH2I2,gas,RG11,NA,2012-01-07,CGL,cal,24532.266,28561.185,73.877,13.905,0,7.565,0.024522,0,0,-1.091E-05,0,0,NA
+"1,2-diiodoethane",NA,C2H4I2,gas,RG11,NA,2012-01-07,CGL,cal,19657.983,16759.082,83.246,19.859,0,8.403,0.044025,0,0,-1.88E-05,0,0,NA
+"1,3-diiodopropane",NA,C3H6I2,gas,RG11,NA,2012-01-07,CGL,cal,21662.285,11828.394,92.591,24.981,0,8.105,0.064221,0,0,-2.555E-05,0,0,NA
+"1,4-diiodobutane",NA,C4H8I2,gas,RG11,NA,2012-01-07,CGL,cal,23659.417,6897.706,101.96,30.359,0,7.533,0.087524,0,0,-3.678E-05,0,0,NA
+"1,2-diiodopropane",NA,C3H6I2,gas,RG11,NA,2012-01-07,CGL,cal,17835.086,8599.904,94.598,24.88,0,7.646,0.065846,0,0,-2.696E-05,0,0,NA
+"1,2-diiodobutane",NA,C4H8I2,gas,RG11,NA,2012-01-07,CGL,cal,19661.568,2849.904,101.793,30.684,0,9.199,0.081812,0,0,-3.272E-05,0,0,NA
+triiodomethane,NA,CHI3,gas,RG11,NA,2012-01-07,CGL,cal,52129.78,59990.44,84.99,18.009,0,12.72,0.020817,0,0,-1.034E-05,0,0,NA
+"allyl iodide",NA,C3H5I,gas,RG11,NA,2012-01-07,CGL,cal,28748.805,22899.14,76.458,19.869,0,5.975,0.053203,0,0,-2.216E-05,0,0,NA
+iodobenzene,NA,C6H5I,gas,RG11,NA,2012-01-07,CGL,cal,44915.392,38850.382,79.852,24.266,0,0.076,0.093427,0,0,-4.123E-05,0,0,NA
+"1,2-diiodobenzene",NA,C6H4I2,gas,RG11,NA,2012-01-07,CGL,cal,59561.902,58197.897,93.881,30.22,0,10.851,0.073279,0,0,-2.79E-05,0,0,NA
+"1,3-diiodobenzene",NA,C6H4I2,gas,RG11,NA,2012-01-07,CGL,cal,57913.719,57896.75,98.399,28.697,0,7.933,0.078872,0,0,-3.093E-05,0,0,NA
+"1,4-diiodobenzene",NA,C6H4I2,gas,RG11,NA,2012-01-07,CGL,cal,58462.476,57896.75,96.558,28.697,0,7.933,0.078872,0,0,-3.093E-05,0,0,NA
+2-iodotoluene,NA,C7H7I,gas,RG11,NA,2012-01-07,CGL,cal,43195.507,31692.161,94.216,30.782,0,3.736,0.103442,0,0,-4.27E-05,0,0,NA
+3-iodotoluene,NA,C7H7I,gas,RG11,NA,2012-01-07,CGL,cal,43460.564,31907.266,94.049,29.261,0,0.817,0.109034,0,0,-4.573E-05,0,0,NA
+4-iodotoluene,NA,C7H7I,gas,RG11,NA,2012-01-07,CGL,cal,40685.707,29110.899,93.977,29.261,0,0.817,0.109034,0,0,-4.573E-05,0,0,NA
+iodomethylbenzene,NA,C7H7I,gas,RG11,NA,2012-01-07,CGL,cal,38722.514,25095.602,87.094,29.613,0,-0.373,0.115679,0,0,-5.066E-05,0,0,NA
+1-iodonaphthalene,NA,C10H7I,gas,RG11,NA,2012-01-07,CGL,cal,67585.086,55310.707,95.746,36.334,0,1.076,0.134345,0,0,-5.395E-05,0,0,NA
+2-iodonaphthalene,NA,C10H7I,gas,RG11,NA,2012-01-07,CGL,cal,67404.159,54830.306,94.742,36.334,0,1.076,0.134345,0,0,-5.395E-05,0,0,NA
+2-iodophenol,NA,C6H5IO,gas,RG11,NA,2012-01-07,CGL,cal,7681.166,-3692.4,86.563,30.858,0,9.159,0.082481,0,0,-3.254E-05,0,0,NA
+3-iodophenol,NA,C6H5IO,gas,RG11,NA,2012-01-07,CGL,cal,6139.34,-3993.547,90.724,29.338,0,6.24,0.088074,0,0,-3.557E-05,0,0,NA
+4-iodophenol,NA,C6H5IO,gas,RG11,NA,2012-01-07,CGL,cal,6139.34,-3993.547,90.724,29.338,0,6.24,0.088074,0,0,-3.557E-05,0,0,NA
+"2-iodobenzoic acid",NA,C7H5IO2,gas,RG11,NA,2012-01-07,CGL,cal,-33239.245,-48470.363,99.512,30.703,0,4.852,0.097562,0,0,-3.641E-05,0,0,NA
+"3-iodobenzoic acid",NA,C7H5IO2,gas,RG11,NA,2012-01-07,CGL,cal,-38351.577,-52342.256,103.674,29.183,0,1.934,0.103155,0,0,-3.944E-05,0,0,NA
+"4-iodobenzoic acid",NA,C7H5IO2,gas,RG11,NA,2012-01-07,CGL,cal,-37539.197,-51529.637,103.674,29.183,0,1.934,0.103155,0,0,-3.944E-05,0,0,NA
+methyl-2-iodobenzoate,NA,C8H7IO2,gas,RG11,NA,2012-01-07,CGL,cal,-19099.187,-40071.702,112.86,40.17,0,8.715,0.120124,0,0,-4.906E-05,0,0,NA