ChemSpider 2D Image | Octyl (~2~H_5_)benzoate | C15H17D5O2

Octyl (2H5)benzoate

  • Molecular FormulaC15H17D5O2
  • Average mass239.365 Da
  • Monoisotopic mass239.193359 Da
  • ChemSpider ID107433461

  • Non-standard isotope - Non-standard isotope

More details:

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

(2H5)Benzoate d'octyle [French] [ACD/IUPAC Name]
Benzoic-d5 acid, octyl ester [ACD/Index Name]
Octyl (2H5)benzoate [ACD/IUPAC Name]
Octyl-(2H5)benzoat [German] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 320.7±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.2±3.0 kJ/mol
Flash Point: 135.2±6.5 °C
Index of Refraction: 1.492
Molar Refractivity: 70.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.91
ACD/LogD (pH 5.5): 5.75
ACD/BCF (pH 5.5): 13856.83
ACD/KOC (pH 5.5): 32076.82
ACD/LogD (pH 7.4): 5.75
ACD/BCF (pH 7.4): 13856.83
ACD/KOC (pH 7.4): 32076.82
Polar Surface Area: 26 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 35.0±3.0 dyne/cm
Molar Volume: 242.9±3.0 cm3

Click to predict properties on the Chemicalize site


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