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:1997
Name:tricosafluorododecanoic acid
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: perfluorododecanoic acid
Labels:
CAS:307-55-1
InChi Code:InChI=1S/C12HF23O2/c13-2(14,1(36)37)3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)35/h(H,36,37)

Properties

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

ValueSource or prediction
-4.211

experimental value

-3.0866

Tab2.Model_16: PFC vapor pressure (Training set)

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