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:136
Name:2,4-dimethyl-3-ethylhexane
Description:
Labels:
CAS:
InChi Code:InChI=1S/C10H22/c1-6-9(5)10(7-2)8(3)4/h8-10H,6-7H2,1-5H3

Properties

BP: Boiling point [K]

ValueSource or prediction
437.15

experimental value

434.89

Model_16: Table 6A (Training set)