10967/152 - QDB Compounds

QsarDB Repository

Wang, Z.-W.; Feng, J.-L.; Wang, H.-J.; Cui, Z.-G.; Li, G.-Z. Effectiveness of Surface Tension Reduction by Nonionic Surfactants with Quantitative Structure-Property Relationship Approach. J. Dispersion Sci. Technol. 2005, 26, 441–447.

Compound

ID:22
Name:29-[4-(5,5-dimethylhexyl)phenoxy]-3,6,9,12,15,18,21,24,27-nonaoxanonacosan-1-ol
Description:Names and InChI codes were generated with JChem for Excel
Labels:
CAS:
InChi Code:InChI=1S/C34H62O11/c1-34(2,3)11-5-4-6-32-7-9-33(10-8-32)45-31-30-44-29-28-43-27-26-42-25-24-41-23-22-40-21-20-39-19-18-38-17-16-37-15-14-36-13-12-35/h7-10,35H,4-6,11-31H2,1-3H3

Properties

gamma0: Lowest surface tension [mN/m]

ValueSource or prediction
35

experimental value

34.4

Tab5: Model for nonionic surfactants (Training set)