ChemSpider 2D Image | (2,2,2-~2~H_3_)Ethyl acetate | C4H5D3O2

(2,2,2-2H3)Ethyl acetate

  • Molecular FormulaC4H5D3O2
  • Average mass91.124 Da
  • Monoisotopic mass91.071259 Da
  • ChemSpider ID25196692

  • Non-standard isotope - Non-standard isotope

More details:

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

(2,2,2-2H3)Ethyl acetate [ACD/IUPAC Name]
(2,2,2-2H3)Ethyl-acetat [German] [ACD/IUPAC Name]
Acétate de (2,2,2-2H3)éthyle [French] [ACD/IUPAC Name]
Ethan-2,2,2-d3-ol, acetate [ACD/Index Name]
109545-01-9 [RN]
acetic acid ethyl ester
Ethyl-2,2,2-d3 Acetate

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

Density: 0.9±0.1 g/cm3
Boiling Point: 73.9±3.0 °C at 760 mmHg
Vapour Pressure: 111.7±0.1 mmHg at 25°C
Enthalpy of Vaporization: 31.9±0.0 kJ/mol
Flash Point: -3.3±0.0 °C
Index of Refraction: 1.373
Molar Refractivity: 22.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.71
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 2.68
ACD/KOC (pH 5.5): 70.43
ACD/LogD (pH 7.4): 0.87
ACD/BCF (pH 7.4): 2.68
ACD/KOC (pH 7.4): 70.43
Polar Surface Area: 26 Å2
Polarizability: 8.9±0.5 10-24cm3
Surface Tension: 23.6±3.0 dyne/cm
Molar Volume: 98.0±3.0 cm3

Click to predict properties on the Chemicalize site


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