ChemSpider 2D Image | (~2~H_3_)Methyl acetate | C3H3D3O2

(2H3)Methyl acetate

  • Molecular FormulaC3H3D3O2
  • Average mass77.097 Da
  • Monoisotopic mass77.055611 Da
  • ChemSpider ID24532714
  • Non-standard isotope - Non-standard isotope


More details:






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

(2H3)Methyl acetate [ACD/IUPAC Name]
(2H3)Methyl-acetat [German] [ACD/IUPAC Name]
24704-57-2 [RN]
Acétate de (2H3)méthyle [French] [ACD/IUPAC Name]
Methan-d3-ol, acetate [ACD/Index Name]
Methan-d3-ol,acetate (6CI,9CI)
Acetic acid, methyl ester [ACD/Index Name]
Methyl-d3 Acetate

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

Density: 0.9±0.1 g/cm3
Boiling Point: 44.0±3.0 °C at 760 mmHg
Vapour Pressure: 368.4±0.1 mmHg at 25°C
Enthalpy of Vaporization: 30.3±0.0 kJ/mol
Flash Point: -9.4±0.0 °C
Index of Refraction: 1.354
Molar Refractivity: 17.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.18
ACD/LogD (pH 5.5): 0.49
ACD/BCF (pH 5.5): 1.39
ACD/KOC (pH 5.5): 44.07
ACD/LogD (pH 7.4): 0.49
ACD/BCF (pH 7.4): 1.39
ACD/KOC (pH 7.4): 44.07
Polar Surface Area: 26 Å2
Polarizability: 7.0±0.5 10-24cm3
Surface Tension: 21.8±3.0 dyne/cm
Molar Volume: 81.5±3.0 cm3

Click to predict properties on the Chemicalize site






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