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.

69 compounds | Property HV: Heat of vaporization at 25C [kJ/mol]

IDNameHVDetails
6pentane 26.42View
72-methylbutane 24.59View
82,2-dimethylpropane 21.78View
9hexane 31.55View
102-methylpentane 29.86View
113-methylpentane 30.27View
122,2-dimethylbutane 27.69View
132,3-dimethylbutane 29.12View
14heptane 36.55View
152-methylhexane 34.8View
163-methylhexane 35.08View
172,2-dimethylpentane 32.43View
182,3-dimethylpentane 34.24View
192,4-dimethylpentane 32.88View
203,3-dimethylpentane 33.02View
213-ethylpentane 35.22View
222,2,3-trimethylbutane 32.04View
23octane 41.48View
242-methylheptane 39.68View
253-methylheptane 39.83View
264-methylheptane 39.67View
272,2-dimethylhexane 37.29View
282,3-dimethylhexane 38.79View
292,4-dimethylhexane 37.76View
302,5-dimethylhexane 37.86View
313,3-dimethylhexane 37.93View
323,4-dimethylhexane 39.02View
333-ethylhexane 39.4View
342,2,3-trimethylpentane 36.91View
352,2,4-trimethylpentane 35.13View
362,3,3-trimethylpentane 37.22View
372,3,4-trimethylpentane 37.61View
382-methyl-3-ethylpentane 38.52View
393-methyl-3-ethylpentane 37.99View
41nonane 46.44View
422-methyloctane 44.65View
433-methyloctane 44.75View
444-methyloctane 44.75View
452,2-dimethylheptane 42.28View
462,3-dimethylheptane 43.79View
472,4-dimethylheptane 42.87View
482,5-dimethylheptane 42.87View
492,6-dimethylheptane 42.82View
503,3-dimethylheptane 42.66View
513,4-dimethylheptane 43.84View
523,5-dimethylheptane 42.98View
534,4-dimethylheptane 42.66View
543-ethylheptane 44.81View
554-ethylheptane 44.81View
562,2,3-trimethylhexane 41.91View
572,2,4-trimethylhexane 40.57View
582,2,5-trimethylhexane 40.17View
592,3,3-trimethylhexane 42.23View
602,3,4-trimethylhexane 42.93View
612,3,5-trimethylhexane 41.42View
622,4,4-trimethylhexane 40.84View
633,3,4-trimethylhexane 42.28View
642-methyl-3-ethylhexane 43.84View
652-methyl-4-ethylhexane 42.98View
663-methyl-3-ethylhexane 43.04View
673-methyl-4-ethylhexane 43.95View
682,2,3,3-tetramethylpentane 41View
692,2,3,4-tetramethylpentane 41View
702,2,4,4-tetramethylpentane 38.1View
712,3,3,4-tetramethylpentane 41.75View
722,2-dimethyl-3-ethylpentane 42.02View
732,3-dimethyl-3-ethylpentane 42.55View
742,4-dimethyl-3-ethylpentane 42.93View
753,3-diethylpentane 43.36View

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. http://dx.doi.org/10.1021/ci0003247

  2. Needham, D. E.; Wei, I. C.; Seybold, P. G. Molecular modeling of the physical properties of alkanes. Journal of the American Chemical Society 1988, 110, 4186–4194. http://dx.doi.org/10.1021/ja00221a015