ChemSpider 2D Image | Methyl (2,6-~2~H_2_)benzoate | C8H6D2O2

Methyl (2,6-2H2)benzoate

  • Molecular FormulaC8H6D2O2
  • Average mass138.160 Da
  • Monoisotopic mass138.064987 Da
  • ChemSpider ID25937406

  • Non-standard isotope - Non-standard isotope

More details:

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

(2,6-2H2)Benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic-2,6-d2 acid, methyl ester [ACD/Index Name]
Methyl (2,6-2H2)benzoate [ACD/IUPAC Name]
methyl 2,6-dideuteriobenzoate
Methyl-(2,6-2H2)benzoat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 199.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.3 mmHg at 25°C
Enthalpy of Vaporization: 43.6±3.0 kJ/mol
Flash Point: 82.8±0.0 °C
Index of Refraction: 1.509
Molar Refractivity: 38.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.20
ACD/LogD (pH 5.5): 2.10
ACD/BCF (pH 5.5): 23.34
ACD/KOC (pH 5.5): 331.82
ACD/LogD (pH 7.4): 2.10
ACD/BCF (pH 7.4): 23.34
ACD/KOC (pH 7.4): 331.82
Polar Surface Area: 26 Å2
Polarizability: 15.1±0.5 10-24cm3
Surface Tension: 36.1±3.0 dyne/cm
Molar Volume: 127.3±3.0 cm3

Click to predict properties on the Chemicalize site


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