ChemSpider 2D Image | Methyl 2-(~2~H_3_)methylbenzoate | C9H7D3O2

Methyl 2-(2H3)methylbenzoate

  • Molecular FormulaC9H7D3O2
  • Average mass153.193 Da
  • Monoisotopic mass153.086914 Da
  • ChemSpider ID111333940

  • Non-standard isotope - Non-standard isotope

More details:

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

2-(2H3)Méthylbenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-(methyl-d3)-, methyl ester [ACD/Index Name]
Methyl 2-(2H3)methylbenzoate [ACD/IUPAC Name]
Methyl-2-(2H3)methylbenzoat [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: 215.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.1±3.0 kJ/mol
Flash Point: 82.2±0.0 °C
Index of Refraction: 1.509
Molar Refractivity: 42.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.66
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 69.00
ACD/KOC (pH 5.5): 720.90
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 69.00
ACD/KOC (pH 7.4): 720.90
Polar Surface Area: 26 Å2
Polarizability: 17.0±0.5 10-24cm3
Surface Tension: 35.2±3.0 dyne/cm
Molar Volume: 143.6±3.0 cm3

Click to predict properties on the Chemicalize site


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