10967/122 - QDB Compounds

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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.

62 compounds | Property HFL: Heat of formation in liquid at 25C [kJ/mol]

IDNameHFLDetails
2ethane 22.5View
3propane 28.79View
4butane 35.34View
52-methylpropane 36.95View
6pentane 41.4View
72-methylbutane 42.95View
82,2-dimethylpropane 45.61View
9hexane 47.52View
102-methylpentane 48.82View
113-methylpentane 48.28View
122,2-dimethylbutane 51View
132,3-dimethylbutane 49.48View
14heptane 53.63View
152-methylhexane 54.93View
163-methylhexane 54.35View
172,2-dimethylpentane 57.05View
182,3-dimethylpentane 54.83View
192,4-dimethylpentane 56.17View
203,3-dimethylpentane 56.07View
213-ethylpentane 53.77View
222,2,3-trimethylbutane 56.63View
23octane 59.74View
242-methylheptane 60.98View
253-methylheptane 60.34View
264-methylheptane 60.17View
272,2-dimethylhexane 62.63View
282,3-dimethylhexane 60.4View
292,4-dimethylhexane 61.47View
302,5-dimethylhexane 62.26View
313,3-dimethylhexane 61.58View
323,4-dimethylhexane 60.23View
333-ethylhexane 59.88View
342,2,3-trimethylpentane 61.44View
352,2,4-trimethylpentane 61.97View
362,3,3-trimethylpentane 60.63View
372,3,4-trimethylpentane 60.98View
382-methyl-3-ethylpentane 59.69View
393-methyl-3-ethylpentane 60.46View
402,2,3,3-tetramethylbutane 62.4View
41nonane 65.64View
444-methyloctane 66.82View
452,2-dimethylheptane 68.88View
562,2,3-trimethylhexane 67.57View
572,2,4-trimethylhexane 67.6View
582,2,5-trimethylhexane 70.11View
592,3,3-trimethylhexane 67.18View
612,3,5-trimethylhexane 67.88View
622,4,4-trimethylhexane 66.97View
633,3,4-trimethylhexane 66.33View
682,2,3,3-tetramethylpentane 66.54View
692,2,3,4-tetramethylpentane 66.4View
702,2,4,4-tetramethylpentane 66.95View
712,3,3,4-tetramethylpentane 66.46View
722,2-dimethyl-3-ethylpentane 65.18View
742,4-dimethyl-3-ethylpentane 64.47View
753,3-diethylpentane 65.85View
76decane 71.95View
772-methylnonane 74.04View
805-methylnonane 73.58View
1083,3,5-trimethylheptane 72.84View
1212,2,3,3-tetramethylhexane 72.53View
1262,2,5,5-tetramethylhexane 77.32View

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

  2. Somayajulu, G. R.; Zwolinski, B. J. Generalized treatment of alkanes. Part 2. J. Chem. Soc., Faraday Trans. 2 1972, 68, 1971. https://doi.org/10.1039/f29726801971