ChemSpider 2D Image | 12-Hydroxy(11,11,12,13,13-~2~H_5_)octadecanoic acid | C18H31D5O3

12-Hydroxy(11,11,12,13,13-2H5)octadecanoic acid

  • Molecular FormulaC18H31D5O3
  • Average mass305.508 Da
  • Monoisotopic mass305.297821 Da
  • ChemSpider ID77494123

  • Non-standard isotope - Non-standard isotope

More details:

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

12-Hydroxy(11,11,12,13,13-2H5)octadecanoic acid [ACD/IUPAC Name]
12-Hydroxy(11,11,12,13,13-2H5)octadecansäure [German] [ACD/IUPAC Name]
Acide 12-hydroxy(11,11,12,13,13-2H5)octadécanoïque [French] [ACD/IUPAC Name]
Octadecanoic-11,11,12,13,13-d5 acid, 12-hydroxy- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 436.3±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.0±6.0 kJ/mol
Flash Point: 231.8±17.7 °C
Index of Refraction: 1.468
Molar Refractivity: 88.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 6.03
ACD/LogD (pH 5.5): 4.95
ACD/BCF (pH 5.5): 2196.25
ACD/KOC (pH 5.5): 5096.49
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 35.23
ACD/KOC (pH 7.4): 81.76
Polar Surface Area: 58 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 36.9±3.0 dyne/cm
Molar Volume: 318.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement