10967/122 - QDB Compounds

QsarDB Repository

Liu, S.; Cai, S.; Cao, C.; Li, Z. Molecular Electronegative Distance Vector (MEDV) Related to 15 Properties of Alkanes. J. Chem. Inf. Model. 2000, 40, 6, 1337–1348.

134 compounds | Property E: Enthalphy at 300K

IDNameEDetails
102-methylpentane 26.61View
113-methylpentane 26.32View
122,2-dimethylbutane 25.4View
132,3-dimethylbutane 24.77View
14heptane 33.56View
152-methylhexane 31.21View
163-methylhexane 30.71View
172,2-dimethylpentane 29.5View
182,3-dimethylpentane 28.62View
192,4-dimethylpentane 29.58View
203,3-dimethylpentane 29.33View
213-ethylpentane 31.84View
222,2,3-trimethylbutane 28.28View
23octane 38.12View
242-methylheptane 35.82View
253-methylheptane 35.31View
264-methylheptane 35.06View
272,2-dimethylhexane 34.23View
282,3-dimethylhexane 33.05View
292,4-dimethylhexane 33.76View
302,5-dimethylhexane 33.39View
313,3-dimethylhexane 33.43View
323,4-dimethylhexane 32.47View
333-ethylhexane 36.07View
342,2,3-trimethylpentane 32.13View
352,2,4-trimethylpentane 32.55View
362,3,3-trimethylpentane 32.17View
372,3,4-trimethylpentane 32.55View
382-methyl-3-ethylpentane 34.31View
393-methyl-3-ethylpentane 33.26View
402,2,3,3-tetramethylbutane 31.84View
422-methyloctane 40.42View
433-methyloctane 39.92View
444-methyloctane 39.71View
452,2-dimethylheptane 38.83View
462,3-dimethylheptane 37.82View
472,4-dimethylheptane 38.16View
482,5-dimethylheptane 37.53View
492,6-dimethylheptane 37.99View
503,3-dimethylheptane 38.2View
513,4-dimethylheptane 37.02View
523,5-dimethylheptane 38.07View
534,4-dimethylheptane 37.53View
543-ethylheptane 40.71View
554-ethylheptane 40.5View
562,2,3-trimethylhexane 36.61View
572,2,4-trimethylhexane 36.61View
582,2,5-trimethylhexane 36.86View
592,3,3-trimethylhexane 36.28View
602,3,4-trimethylhexane 36.86View
612,3,5-trimethylhexane 36.02View
622,4,4-trimethylhexane 36.44View
633,3,4-trimethylhexane 35.98View
642-methyl-3-ethylhexane 38.7View
652-methyl-4-ethylhexane 39.25View
663-methyl-3-ethylhexane 37.36View
673-methyl-4-ethylhexane 38.07View
682,2,3,3-tetramethylpentane 35.86View
692,2,3,4-tetramethylpentane 35.06View
702,2,4,4-tetramethylpentane 36.44View
712,3,3,4-tetramethylpentane 36.23View
722,2-dimethyl-3-ethylpentane 36.15View
732,3-dimethyl-3-ethylpentane 36.61View
742,4-dimethyl-3-ethylpentane 36.07View
753,3-diethylpentane 38.37View
812,2-dimethyloctane 43.43View
822,3-dimethyloctane 42.43View
832,4-dimethyloctane 42.76View
842,5-dimethyloctane 41.92View
852,6-dimethyloctane 42.09View
862,7-dimethyloctane 42.58View
873,3-dimethyloctane 42.8View
883,4-dimethyloctane 41.8View
893,5-dimethyloctane 42.47View
903,6-dimethyloctane 41.63View
914,4-dimethyloctane 42.3View
924,5-dimethyloctane 41.51View
933-ethyloctane 45.31View
944-ethyloctane 45.1View
952,2,3-trimethylheptane 41.3View
962,2,4-trimethylheptane 41.05View
972,2,5-trimethylheptane 40.5View
982,2,6-trimethylheptane 40.96View
992,3,3-trimethylheptane 41View
1002,3,4-trimethylheptane 40.9View
1012,3,5-trimethylheptane 40.12View
1022,3,6-trimethylheptane 39.75View
1032,4,4-trimethylheptane 40.54View
1042,4,5-trimethylheptane 39.98View
1052,4,6-trimethylheptane 41.13View
1062,5,5-trimethylheptane 40.54View
1073,3,4-trimethylheptane 40.46View
1083,3,5-trimethylheptane 40.46View
1093,4,4-trimethylheptane 40.08View
1103,4,5-trimethylheptane 41.14View
1112-methyl-3-ethylheptane 43.3View
1122-methyl-4-ethylheptane 43.64View
1132-methyl-5-ethylheptane 42.93View
1143-methyl-3-ethylheptane 42.13View
1153-methyl-4-ethylheptane 42.47View
1163-methyl-5-ethylheptane 43.35View
1174-methyl-3-ethylheptane 42.51View
1184-methyl-4-ethylheptane 41.46View
1194-propylheptane 44.85View
1204-isopropylheptane 43.1View
1212,2,3,3-tetramethylhexane 40View
1222,2,3,4-tetramethylhexane 39.25View
1232,2,3,5-tetramethylhexane 39.54View
1242,2,4,4-tetramethylhexane 40.29View
1252,2,4,5-tetramethylhexane 38.83View
1262,2,5,5-tetramethylhexane 39.37View
1272,3,3,4-tetramethylhexane 40.04View
1282,3,3,5-tetramethylhexane 39.16View
1292,3,4,4-tetramethylhexane 38.87View
1302,3,4,5-tetramethylhexane 40.71View
1313,3,4,4-tetramethylhexane 39.87View
1322,2-dimethyl-3-ethylhexane 40.5View
1332,2-dimethyl-4-ethylhexane 41.92View
1342,3-dimethyl-3-ethylhexane 40.7View
1352,3-dimethyl-4-ethylhexane 42.43View
1372,4-dimethyl-4-ethylhexane 40.29View
1382,5-dimethyl-3-ethylhexane 41.34View
1393,3-dimethyl-4-ethylhexane 39.92View
1403,4-dimethyl-3-ethylhexane 40.42View
1413,3-diethylhexane 42.43View
1423,4-diethylhexane 43.6View
1432-methyl-3-isopropylhexane 40.46View
1442,2,3,3,4-pentamethylpentane 38.62View
1452,2,3,4,4-pentamethylpentane 38.81View
1462,2,3-trimethyl-3-ethylpentane 38.41View
1472,2,4-trimethyl-3-ethylpentane 38.87View
1482,3,4-trimethyl-3-ethylpentane 38.58View
1492-methyl-3,3-diethylpentane 39.25View
1502,4-dimethyl-3-isopropylpentane 39.25View

Bibliography

  1. Liu, S.; Cai, S.; Cao, C.; Li, Z. Molecular Electronegative Distance Vector (MEDV) Related to 15 Properties of Alkanes. J. Chem. Inf. Model. 2000, 40, 1337–1348. https://doi.org/10.1021/ci0003247