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.

69 compounds | Property MV: Molar volume at 20C [cm3/mol]

IDNameMVDetails
6pentane 115.205View
72-methylbutane 116.426View
82,2-dimethylpropane 122.074View
9hexane 130.688View
102-methylpentane 131.933View
113-methylpentane 129.717View
122,2-dimethylbutane 132.744View
132,3-dimethylbutane 130.24View
14heptane 146.54View
152-methylhexane 147.656View
163-methylhexane 145.821View
172,2-dimethylpentane 148.695View
182,3-dimethylpentane 144.153View
192,4-dimethylpentane 148.949View
203,3-dimethylpentane 144.53View
213-ethylpentane 143.517View
222,2,3-trimethylbutane 145.191View
23octane 162.592View
242-methylheptane 163.663View
253-methylheptane 161.832View
264-methylheptane 162.105View
272,2-dimethylhexane 164.285View
282,3-dimethylhexane 160.395View
292,4-dimethylhexane 163.093View
302,5-dimethylhexane 164.697View
313,3-dimethylhexane 160.879View
323,4-dimethylhexane 158.814View
333-ethylhexane 160.072View
342,2,3-trimethylpentane 159.526View
352,2,4-trimethylpentane 165.083View
362,3,3-trimethylpentane 157.292View
372,3,4-trimethylpentane 158.852View
382-methyl-3-ethylpentane 158.794View
393-methyl-3-ethylpentane 157.026View
41nonane 178.713View
422-methyloctane 179.773View
433-methyloctane 177.952View
444-methyloctane 178.15View
452,2-dimethylheptane 180.507View
462,3-dimethylheptane 176.653View
472,4-dimethylheptane 179.12View
482,5-dimethylheptane 179.371View
492,6-dimethylheptane 180.914View
503,3-dimethylheptane 176.897View
513,4-dimethylheptane 175.349View
523,5-dimethylheptane 177.386View
534,4-dimethylheptane 176.897View
543-ethylheptane 176.41View
554-ethylheptane 175.685View
562,2,3-trimethylhexane 175.878View
572,2,4-trimethylhexane 179.22View
582,2,5-trimethylhexane 181.346View
592,3,3-trimethylhexane 173.78View
602,3,4-trimethylhexane 173.498View
612,3,5-trimethylhexane 177.656View
622,4,4-trimethylhexane 177.787View
633,3,4-trimethylhexane 172.055View
642-methyl-3-ethylhexane 175.445View
652-methyl-4-ethylhexane 177.386View
663-methyl-3-ethylhexane 173.077View
673-methyl-4-ethylhexane 172.844View
682,2,3,3-tetramethylpentane 169.495View
692,2,3,4-tetramethylpentane 173.557View
702,2,4,4-tetramethylpentane 178.256View
712,3,3,4-tetramethylpentane 169.928View
722,2-dimethyl-3-ethylpentane 174.537View
732,3-dimethyl-3-ethylpentane 170.093View
742,4-dimethyl-3-ethylpentane 173.804View
753,3-diethylpentane 170.185View

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