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Psion Database | 1993-05-12 | 8.7 KB | 866 lines

OPLDatabaseFile Subidx: Name: Formula: State: Molar mass: Density: Melts: Boils: dHsc: dHsf: dGsf: Dipole: Permittivity: Notes: Water 0.997 273.15 373.15 -285.9 -237.2 133.25 78.54U Carbon monoxide 68.10 81.66 -241.8 -228.6 188.7 POI GASF Carbon dioxide 216.6(sub) -393.7 -394.6 213.8J Furan (CH)4O 0.938 187.50 304.51 -2083.5 1.4214 2.95s Phenol C6H6OH 1.076 314.05 454.98 -3055.8 -165.0 -50.9 146.0 1.5521 9.78(333K) COR SK POI VAP(5)\ Nitrobenzene C6H5NO2 124.1 1.203 278.85 484.00 1.5102 POI VAP(10),INFV Puridine (CH)5N 0.983 231.48 338.35 1.5102 POI VAP(10),INFX Carbonyl diamide (urea) NH2CONH2 405.9 -332.8 -205.2 104.6 1.484K Methane 0.424 90.67 111.66 -890.4 -74.8 -50.8 186.2 Ethane CH3CH3 0.546 89.88 184.52 -1559.8 -84.6 -32.8 229.5 Propane CH3CH2CH3 0.582 85.46 231.08 -2220.0 -103.8 -23.5 269.9 0 1.66(liq) Butane CH3(CH2)2CH3 0.579 134.80 272.65 -2877.1 -126.1 -17.1 310.1 1.3326 0 1.78(liq) Pentane CH3(CH2)3CH3 0.626 143.43 309.22 -3509.4 -173.2 261.2 1.3575 Hexane CH3(CH2)4CH3 0.659 177.80 341.89 -4194.7 -198.8 -4.4? 295.9 1.3749 Heptane CH3(CH2)5CH3 100.2 0.684 182.54 371.57 -4853.5 -224.4 328.5 1.3876 Octane CH3(CH2)6CH3 114.2 0.702 216.35 398.81 -5512.5 -249.9 361.1? 1.3974 Nonane CH3(CH2)7CH3 128.3 0.718 219.63 423.94 -6124.5 -275.5 11.8? 393.7 1.4054 Decane CH3(CH2)8CH3 142.3 0.730 243.49 447.27 -6778.3 -301.0 172.? 425.9 14119 Eicosane CH3(CH2)18CH3 282.6 0.785 309.59 616.95 -13316.3(liq) -556.6(liq) 71.6(liq) 751.7(liq) 1.4405 (liq)=undercooled liquid` 2-Methylpropane (CH3)2CHCH3 0.557 113.55 261.42 -2868.7 -134.5 -20.9 294.6 1.73i 2-Methylbutane (CH3)2CHCH2CH3 0.620 113.25 301.00 -3502.9 -179.7? -15.1? 260.4 135.37 1.84e 2,2-Dimethylpropane C(CH3)4 0.591 256.60 282.65 -3516.6 -165.9 -15.2 306.4 1.3420 1.80G Cyclopropane (CH2)3 145.73 240.35 -1966.0 Cyclobutane (CH2)4 0.694 182.42 285.66 1.3650i Cyclopentane CH2(CH2)3CH2 0.745 179.27 322.41 -3290.9 -105.9 204.3 1.4070 1.97(293K)a Cyclohexane CH2(CH2)4CH2 0.779 279.70 353.89 -3919.8 -156.2 204.4 1.4260 2.02K Ethene CH2=CH2 0.610 104.00 169.44 -1411.0 219.5 Propene CH2=CHCH3 0.514 87.90 225.45 -2058.5 266.9 1.86U 03 But-1-ene CH2=CHCH2CH3 0.595 87.80 266.89 -2717.3 305.6 0.38Y trans-But-2-ene CH3CH=CHCH3 0.604 167.60 274.03 -2702.2 -11.9 296.4 cis-But-2-ene CH3CH=CHCH3 0.621 134.24 276.87 -2710.4 300.8j 06 Hex-1-ene CH2=CH(CH2)3CH3 0.673 134.33 336.64 -4003.7 -41.7(vap) 87.6(vap) 384.6(vap) 1.3880V Buta-1,2-diene CH2=C=CHCH3 0.652 136.25 284.00 -2593.8 162.2 198.4 293.0` Buta-1,3-diene CH2=CHCH=CH2 0.621 164.23 268.74 -2541.7 110.1 150.6 278.7 1.4290 Cyclohexene CH2(CH2)3CH=CH 0.811 169.45 356.35 -4128.0? 1.4467 2.22P Ethyne CHCH3 0.618 193.15 189.75 -1299.6 226.8 209.2 200.8 Propyne CH3CCH 0.671 170.45 249.93 -1937.7 185.4 193.8 248.1 Benzene 0.879 278.68 353.25 -3267.6? 49.0? 124.5? 172.8? 1.5010 SK POI VAP(25),INFL Naphthalene C10H8 128.2 1.101 353.44 491.10 -5149.2 1.5898 2.54b Methyl Benzene C6H5CH3 0.867 178.16 383.78 -3909.9 115.5 319.7 1.4970 2.38h Ethylbenzene C6H5CH2CH3 106.2 0.867 178.17 409.34 -4564.9 -12.5? 119.7? 255.2? 1.4960 2.24g Propylbenzene C6H5(CH2)2CH3 120.2 0.862 173.65 432.37 -5218.2 -34.4? 123.8 290.5? 1.4920 2.27l 1,2-Dimethylbenzene C6H4(CH3)2 106.2 0.880 247.97 417.56 -4552.9 -24.4 110.3 246.5 1.5060 2.27h 1,3-Dimethylbenzene C6H4(CH3)2 106.2 0.864 225.28 412.25 -4551.9 -25.4 107.6 252.1 1.4970 2.24i 1,4-Dimethylbenzene C6H4(CH3)2 106.2 0.861 286.41 411.50 -4552.9 -24.4 110.1 247.4 1.4960 2.24G Ethenylbenzene C6H5CH=CH2 104.1 0.921 268.47 413.71 1.5379D Cyclooctatetraene 104.2 0.921 268.47 413.71 1.5379a Methylamine CH3NH2 0.660 179.66 266.82 -1079.9 -23.0 247.1 1.3527 Dimethylamine (CH3)2NH 0.656 180.96 280.03 -1759.8 -18.5 280.5 1.3597 Trimethylamine (CH3)3N 0.633 155.85 276.02 -2418.8 -24.3 287.0 1.3476 5.5(360MHz) Ethylamine CH3CH2NH2 0.683 192.15 289.73 -1738.9 -47.2 1.3663 1-Aminopropane CH3CH2CH2NH2 0.717 190.15 321.65 -2335.9 -68.8 1.3882 COR POI VAP,INFe Chloromethane CH3Cl 0.916 175.43 248.93 -687.0 -80.8 -57.4 234.3 1.3390 12.6(253K)o Bromomethane CH3Br 1.676 179.55 276.71 -769.9 -35.2 -25.9 246.2 1.4218 9.82(273K) SK POI GASM Tetrabromomethane 331.6 3.420 365.15 463.15 212.5 Iodomethane 141.9 2.279 206.70 315.58 -814.6 -15.5 163.2 1.5308 SK POI VAPi Tetraiodomethane 519.6 4.320 444.15 408.15 -1325.1 -136.5 -59.4 190.8 1.3676 SK POI GASb Tetrachloromethane 153.8 1.594 250.16 349.69 -156.1 -135.5 -69.3 216.4 1.4601 2.24` Dichloromethane CH2Cl2 1.316 178.01 412.90 -21.4 -67.3 177.8 1.4211 9.08u Trichloromethane CHCl3 119.4 1.479 209.66 334.88 -134.5 -73.7 201.8 1.4429 POI VAP,chloroformZ Methanol CH3OH 0.793 175.47 337.66 -726.3 -238.9 -166.7 1.3280 Ethanol CH3CH2OH 0.789 159.05 351.47 -1366.7 277.7 174.9 160.7 1.3610 24.3f Propan-1-ol CH3CH2CH2OH 0.804 146.95 370.35 -2017.3 -304.0 -171.3 196.6 1.3860 20.1e Propan-2-ol CH3CHOHCH3 0.787 184.65 355.65 -1986.6 -317.9 -180.3 180.5 1.3772 18.1l Butan-1-ol CH3(CH2)2CH2OH 0.810 183.85 390.88 -2674.9 -327.1 -168.9 228.0 1.3990 POI VAPe Pentan-1-ol CH3(CH2)3CH2OH 0.815 194.95 411.15 -3322.9 -357.1 -161.6 259.0 1.4100 13.9i Hexan-1-ol CH3(CH2)4CH2OH 102.2 0.820 228.55 430.23 -3976.1 -379.5 -152.3 289.5 1.4180 13.3e Heptan-1-ol CH3(CH2)5CH2OH 116.2 0.822 239.15 449.40 -4622.9 -398.7 -141.8 325.9 1.4240 1.71i Octan-1-ol CH3(CH2)6CH2OH 180.2 0.826 256.65 468.35 -5280.2 -425.1 -136.4 354.4 1.4295 10.3i Etane-1,2-diol CH2OHCH2OH 1.114 259.59 470.45 -1179.5 -454.8 -323.2 166.9 1.4318 2.00? 37.7\ Propane-1,2,3-triol CH2OHCHOHCH2OH 1.260 291.75 563.15 -1661.0 1.4746 42.5c Cyclohexanol CH2(CH2)4CH0H 100.2 0.962 298.30 434.65 -3726.7 -358.2 1.4650 POI VAPh Methoxymethane CH3OCH3 0.669 131.66 248.31 -1454.4 -184.1 -112.8 1.3018 Ethoxymethane CH3CH2OCH2CH3 0.713 156.85 307.70 -2761.4 -279.6 -122.7 251.9 1.3524 Methoxybenzene C6H5OCH3 108.1 0.994 235.85 427.15 -3786.9 1.38Z Methanal 0.815 181.15 254.05 -549.8 -117.2 -113.0 218.7 2.27? POI GASo Ethanal CH3CHO 0.778 150.15 293.55 -1167.3 -192.3 -128.2 160.2 1.3311 2.49? 21.8(283K,400MHz) Propanal CH3CHO 0.797 193.15 321.15 -1816.7 -221.3 -142.1 1.3619 2.54? 18.5(290K,400MHz)\ Butanal CH3CH2CHO 0.801 176.75 347.95 -2497.0 -219.2 -306.4 1.3791 2.57? 13.4^ 2-Methylpropanal (CH3)2CHCH2CHO 0.789 208.15 337.25 -2497.0 -220.5 1.3727 2.58I Benzenal C6H5CHO 106.1 1.050 247.15 451.15 -3520.0 17.4_ Propan-2-one CH3COCH3 0.789 178.45 329.44 -1821.4 -216.7 -152.4 1.3587 20.7W Butan-2-one CH3CH2COCH3 0.805 185.46 352.79 -2438.4 -279.0 1.3788 18.5[ Pentan-2-one CH3CH2COCH2CH3 0.814 234.18 375.14 -3077.8 -308.8 1.3923 15.5Z Methylphenyl ketone C6H5CHO 102.2 1.028 292.80 475.15 -4137.6 1.5342 17.4w Methanoic acid HCO2H 1.220 281.55 373.71 -270.3 -422.7 -361.4 129.0 1.3714 58.5(400 MHz) COR POI VAPw Ethanoylchloride CH3COCl 1.104 161.15 324.15 -273.8 -208.0 200.8 COR SK POI(1),INF,dec in H2OV Ethanamide CH3CONH2 1.159 355.30 494.25 -1182.4 59(356K,400MHz)R Ethanoylbromide CH3COBr 123.0 1.663 177.15 349.85 -223.4 COR SK POI@ Ethanoyliodide CH3COI 170.0 1.980 273.15 381.15 -164.3