ChemSpider 2D Image | (~2~H_7_)Propyl 4-hydroxybenzoate | C10H5D7O3

(2H7)Propyl 4-hydroxybenzoate

  • Molecular FormulaC10H5D7O3
  • Average mass187.244 Da
  • Monoisotopic mass187.122574 Da
  • ChemSpider ID48063085
  • Non-standard isotope - Non-standard isotope


More details:






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

(2H7)Propyl 4-hydroxybenzoate [ACD/IUPAC Name]
(2H7)Propyl-4-hydroxybenzoat [German] [ACD/IUPAC Name]
4-Hydroxybenzoate de (2H7)propyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-hydroxy-, propyl-d7 ester [ACD/Index Name]
1,1,2,2,3,3,3-heptadeuteriopropyl 4-hydroxybenzoate
1246820-92-7 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 294.3±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 55.5±3.0 kJ/mol
Flash Point: 124.6±12.6 °C
Index of Refraction: 1.532
Molar Refractivity: 49.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 89.77
ACD/KOC (pH 5.5): 869.83
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 78.29
ACD/KOC (pH 7.4): 758.62
Polar Surface Area: 47 Å2
Polarizability: 19.5±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 158.8±3.0 cm3

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