10967/188 - QDB Compounds

QsarDB Repository

Ran, Y.; He, Y.; Yang, G.; Johnson, J. L. H.; Yalkowsky, S. H. Estimation of aqueous solubility of organic compounds by using the general solubility equation. Chemosphere 2002, 48, 487–509.

Compound

ID:480
Name:Octyl carbamate
Description:
Labels:
CAS:2029-64-3
InChi Code:InChI=1S/C9H19NO2/c1-2-3-4-5-6-7-8-12-9(10)11/h2-8H2,1H3,(H2,10,11)

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
2.84

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-3.3

experimental value

-2.92

Eq.1: General solubility equation (Test set to verify GSE)

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