ChemSpider 2D Image | 4,4'-(8-Chloro-3-methyl-3,4-octanediyl)diphenol | C21H27ClO2

4,4'-(8-Chloro-3-methyl-3,4-octanediyl)diphenol

  • Molecular FormulaC21H27ClO2
  • Average mass346.891 Da
  • Monoisotopic mass346.169952 Da
  • ChemSpider ID23135092

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4,4'-(8-Chlor-3-methyl-3,4-octandiyl)diphenol [German] [ACD/IUPAC Name]
4,4'-(8-Chloro-3-methyl-3,4-octanediyl)diphenol [ACD/IUPAC Name]
4,4'-(8-Chloro-3-méthyl-3,4-octanediyl)diphénol [French] [ACD/IUPAC Name]
4,4'-(8-chloro-3-methyloctane-3,4-diyl)diphenol
Phenol, 4,4'-[1-(4-chlorobutyl)-2-ethyl-2-methyl-1,2-ethanediyl]bis- [ACD/Index Name]
Erythro-5,6-bis(4-hydroxyphenyl)-1-octyl Chloride
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL434400/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 497.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.5±3.0 kJ/mol
Flash Point: 254.9±28.7 °C
Index of Refraction: 1.568
Molar Refractivity: 100.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.08
ACD/LogD (pH 5.5): 5.95
ACD/BCF (pH 5.5): 19448.93
ACD/KOC (pH 5.5): 40885.69
ACD/LogD (pH 7.4): 5.94
ACD/BCF (pH 7.4): 19367.31
ACD/KOC (pH 7.4): 40714.12
Polar Surface Area: 40 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 308.3±3.0 cm3

Click to predict properties on the Chemicalize site


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