ChemSpider 2D Image | Ethyl 2-(~2~H_3_)methyl(3,3,3-~2~H_3_)propanoate | C6H6D6O2

Ethyl 2-(2H3)methyl(3,3,3-2H3)propanoate

  • Molecular FormulaC6H6D6O2
  • Average mass122.195 Da
  • Monoisotopic mass122.121391 Da
  • ChemSpider ID48060990
  • Non-standard isotope - Non-standard isotope


More details:






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

2-(2H3)Méthyl(3,3,3-2H3)propanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 2-(2H3)methyl(3,3,3-2H3)propanoate [ACD/IUPAC Name]
Ethyl-2-(2H3)methyl(3,3,3-2H3)propanoat [German] [ACD/IUPAC Name]
Propanoic-3,3,3-d3 acid, 2-(methyl-d3)-, ethyl ester [ACD/Index Name]
127074-27-5 [RN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 112.6±8.0 °C at 760 mmHg
Vapour Pressure: 21.6±0.2 mmHg at 25°C
Enthalpy of Vaporization: 33.7±0.0 kJ/mol
Flash Point: 13.9±0.0 °C
Index of Refraction: 1.396
Molar Refractivity: 31.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.59
ACD/LogD (pH 5.5): 1.67
ACD/BCF (pH 5.5): 10.91
ACD/KOC (pH 5.5): 192.55
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 10.91
ACD/KOC (pH 7.4): 192.55
Polar Surface Area: 26 Å2
Polarizability: 12.5±0.5 10-24cm3
Surface Tension: 24.7±3.0 dyne/cm
Molar Volume: 131.4±3.0 cm3

Click to predict properties on the Chemicalize site






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