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University of Tartu, Institute of Chemistry, Molecular Technology (Estonia)
Miscellaneous publications (by other authors)
10967/122
QDB Compounds
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]
Value
Source or prediction
440.95
experimental value
436.74
Model_16: Table 6A (Training set)
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