ChemSpider 2D Image | Octyl 4-hydroxy(~2~H_4_)benzoate | C15H18D4O3

Octyl 4-hydroxy(2H4)benzoate

  • Molecular FormulaC15H18D4O3
  • Average mass254.358 Da
  • Monoisotopic mass254.182007 Da
  • ChemSpider ID30773442

  • Non-standard isotope - Non-standard isotope

More details:

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

4-Hydroxy(2H4)benzoate d'octyle [French] [ACD/IUPAC Name]
Benzoic-2,3,5,6-d4 acid, 4-hydroxy-, octyl ester [ACD/Index Name]
Octyl 4-hydroxy(2H4)benzoate [ACD/IUPAC Name]
Octyl-4-hydroxy(2H4)benzoat [German] [ACD/IUPAC Name]
n-Octyl 4-Hydroxybenzoate-2,3,5,6-d4
n-Octylparaben

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

Density: 1.0±0.1 g/cm3
Boiling Point: 368.1±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.9±3.0 kJ/mol
Flash Point: 147.6±13.2 °C
Index of Refraction: 1.511
Molar Refractivity: 72.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.58
ACD/LogD (pH 5.5): 5.40
ACD/BCF (pH 5.5): 7436.34
ACD/KOC (pH 5.5): 20534.21
ACD/LogD (pH 7.4): 5.34
ACD/BCF (pH 7.4): 6483.71
ACD/KOC (pH 7.4): 17903.71
Polar Surface Area: 47 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 241.3±3.0 cm3

Click to predict properties on the Chemicalize site


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