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.

Compound

ID:80
Name:5-methylnonane
Description:
Labels:
CAS:
InChi Code:InChI=1S/C10H22/c1-4-6-8-10(3)9-7-5-2/h10H,4-9H2,1-3H3

Properties

BP: Boiling point [K]

ValueSource or prediction
438.25

experimental value

436.92

Model_16: Table 6A (Training set)

HFL: Heat of formation in liquid at 25C [kJ/mol]

ValueSource or prediction
73.58

experimental value

72.89

Model_14: Table 6N (Training set)

HFG: Heat of formation in gas at 25C [kJ/mol]

ValueSource or prediction
61.8

experimental value

61.02

Model_15: Table 6O (Training set)

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