10967/177 - QDB Compounds

QsarDB Repository

Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

Compound

ID:1996
Name:octafluoropropane
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: perflutren
Labels:
CAS:76-19-7
InChi Code:InChI=1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11

Properties

M16.logVP: Vapor pressure as log(VP) [log(mm Hg)]

ValueSource or prediction
3.822

experimental value

2.838

Tab2.Model_16: PFC vapor pressure (Training set)

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