10967/173 - QDB Compounds

QsarDB Repository

Bhhatarai, B.; Gramatica, P. Prediction of Aqueous Solubility, Vapor Pressure and Critical Micelle Concentration for Aquatic Partitioning of Perfluorinated Chemicals. Environ. Sci. Technol. 2011, 45, 8120–8128.

Compound

ID:1
Name:tetrafluoromethane
Description:"Structures were downloaded from PubChem or from SciFinder" "IUPAC names were generated from InChI codes with InstantJChem"
Labels:
CAS:75-73-0
InChi Code:InChI=1S/CF4/c2-1(3,4)5

Properties

logVP: Vapour pressure as logVP [log(mm Hg)]

ValueSource or prediction
5.69

Eq2: Model for perfluorinated chemicals (Testing set (inside of the AD))

logCMC: Critical micelle concentration as logCMC [log(mol/L)]

ValueSource or prediction
1.35

Eq3a: Model for perfluorinated chemicals (Testing set (outside of the AD))

logAqS: Aqueous solubility as logAqS [log(mg/L)]

ValueSource or prediction
1.27

experimental value

1.19

Eq1: Model for perfluorinated chemicals (Training set)

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