ChemSpider 2D Image | (~2~H_7_)-2-Propanyl benzoate | C10H5D7O2

(2H7)-2-Propanyl benzoate

  • Molecular FormulaC10H5D7O2
  • Average mass171.244 Da
  • Monoisotopic mass171.127670 Da
  • ChemSpider ID24606349

  • Non-standard isotope - Non-standard isotope

More details:

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

(2H7)-2-Propanyl benzoate [ACD/IUPAC Name]
(2H7)-2-Propanyl-benzoat [German] [ACD/IUPAC Name]
2-Propan-d7-ol, benzoate [ACD/Index Name]
Benzoate de (2H7)-2-propanyle [French] [ACD/IUPAC Name]
(1,1,1,2,3,3,3-2H7)ISOPROPYL BENZOATE
ISOPROPYL BENZOATE (1,1,1,2,3,3,3-D7)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 221.5±8.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.8±3.0 kJ/mol
Flash Point: 93.0±6.0 °C
Index of Refraction: 1.500
Molar Refractivity: 47.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 163.88
ACD/KOC (pH 5.5): 1338.98
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 163.88
ACD/KOC (pH 7.4): 1338.98
Polar Surface Area: 26 Å2
Polarizability: 18.7±0.5 10-24cm3
Surface Tension: 34.3±3.0 dyne/cm
Molar Volume: 160.7±3.0 cm3

Click to predict properties on the Chemicalize site


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