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.

63 compounds | Property HFG: Heat of formation in gas at 25C [kJ/mol]

IDNameHFGDetails
1methane 17.89View
2ethane 20.24View
3propane 24.82View
4butane 30.15View
52-methylpropane 32.15View
6pentane 35View
72-methylbutane 36.92View
82,2-dimethylpropane 40.27View
9hexane 39.96View
102-methylpentane 41.66View
113-methylpentane 41.02View
122,2-dimethylbutane 44.35View
132,3-dimethylbutane 42.49View
14heptane 44.89View
152-methylhexane 46.6View
163-methylhexane 45.96View
172,2-dimethylpentane 49.29View
182,3-dimethylpentane 46.65View
192,4-dimethylpentane 48.3View
203,3-dimethylpentane 48.17View
213-ethylpentane 45.34View
222,2,3-trimethylbutane 48.96View
23octane 49.82View
242-methylheptane 51.5View
253-methylheptane 50.82View
264-methylheptane 50.69View
272,2-dimethylhexane 53.71View
282,3-dimethylhexane 51.16View
292,4-dimethylhexane 52.44View
302,5-dimethylhexane 53.21View
313,3-dimethylhexane 52.61View
323,4-dimethylhexane 50.91View
333-ethylhexane 50.4View
342,2,3-trimethylpentane 52.61View
352,2,4-trimethylpentane 53.57View
362,3,3-trimethylpentane 51.73View
372,3,4-trimethylpentane 51.97View
382-methyl-3-ethylpentane 50.48View
393-methyl-3-ethylpentane 51.38View
402,2,3,3-tetramethylbutane 53.99View
41nonane 54.54View
444-methyloctane 56.19View
452,2-dimethylheptane 58.83View
562,2,3-trimethylhexane 57.7View
572,2,4-trimethylhexane 58.12View
582,2,5-trimethylhexane 60.53View
592,3,3-trimethylhexane 57.31View
612,3,5-trimethylhexane 59.97View
622,4,4-trimethylhexane 57.47View
633,3,4-trimethylhexane 56.42View
682,2,3,3-tetramethylpentane 57.07View
692,2,3,4-tetramethylpentane 56.81View
702,2,4,4-tetramethylpentane 58.16View
712,3,3,4-tetramethylpentane 56.67View
722,2-dimethyl-3-ethylpentane 55.37View
742,4-dimethyl-3-ethylpentane 54.48View
753,3-diethylpentane 55.81View
76decane 59.67View
772-methylnonane 62.17View
805-methylnonane 61.8View
1083,3,5-trimethylheptane 62.22View
1212,2,3,3-tetramethylhexane 62.08View
1262,2,5,5-tetramethylhexane 67.29View

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