ChemSpider 2D Image | 18-(Benzyloxy)-18-oxooctadecanoic acid | C25H40O4

18-(Benzyloxy)-18-oxooctadecanoic acid

  • Molecular FormulaC25H40O4
  • Average mass404.583 Da
  • Monoisotopic mass404.292664 Da
  • ChemSpider ID24958447

More details:

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

18-(Benzyloxy)-18-oxooctadecanoic acid [ACD/IUPAC Name]
18-(Benzyloxy)-18-oxooctadecansäure [German] [ACD/IUPAC Name]
189625-51-2 [RN]
31630914 [Beilstein]
800-141-5 [EINECS]
Acide 18-(benzyloxy)-18-oxooctadécanoïque [French] [ACD/IUPAC Name]
Octadecanedioic acid monobenzyl ester
Octadecanedioic acid, mono(phenylmethyl) ester [ACD/Index Name]
QV16VO1R [WLN]
MFCD09991736 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 529.1±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.6±3.0 kJ/mol
Flash Point: 168.0±16.1 °C
Index of Refraction: 1.500
Molar Refractivity: 117.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 1
ACD/LogP: 8.33
ACD/LogD (pH 5.5): 6.48
ACD/BCF (pH 5.5): 31822.56
ACD/KOC (pH 5.5): 34543.73
ACD/LogD (pH 7.4): 4.68
ACD/BCF (pH 7.4): 510.51
ACD/KOC (pH 7.4): 554.17
Polar Surface Area: 64 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 401.0±3.0 cm3

Click to predict properties on the Chemicalize site


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