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:20
Name:23-[4-(5,5-dimethylhexyl)phenoxy]-3,6,9,12,15,18,21-heptaoxatricosan-1-ol
Description:Names and InChI codes were generated with JChem for Excel
Labels:
CAS:
InChi Code:InChI=1S/C30H54O9/c1-30(2,3)11-5-4-6-28-7-9-29(10-8-28)39-27-26-38-25-24-37-23-22-36-21-20-35-19-18-34-17-16-33-15-14-32-13-12-31/h7-10,31H,4-6,11-27H2,1-3H3

Properties

gamma0: Lowest surface tension [mN/m]

ValueSource or prediction
32

experimental value

31.8

Tab5: Model for nonionic surfactants (Training set)