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.

Compound

ID:78
Name:3-methylnonane
Description:
Labels:
CAS:
InChi Code:InChI=1S/C10H22/c1-4-6-7-8-9-10(3)5-2/h10H,4-9H2,1-3H3

Properties

BP: Boiling point [K]

ValueSource or prediction
440.95

experimental value

436.74

Model_16: Table 6A (Training set)