ChemSpider 2D Image | Ethyl 2-[(1,1,2,2-~2~H_4_)ethyl]-3-oxo(2-~2~H)butanoate | C8H9D5O3

Ethyl 2-[(1,1,2,2-2H4)ethyl]-3-oxo(2-2H)butanoate

  • Molecular FormulaC8H9D5O3
  • Average mass163.226 Da
  • Monoisotopic mass163.125671 Da
  • ChemSpider ID114989572

  • Non-standard isotope - Non-standard isotope

More details:

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

2-[(1,1,2,2-2H4)Éthyl]-3-oxo(2-2H)butanoate d'éthyle [French] [ACD/IUPAC Name]
Butanoic-2,3,3,4,4-d5 acid, 2-acetyl-, ethyl ester [ACD/Index Name]
Ethyl 2-[(1,1,2,2-2H4)ethyl]-3-oxo(2-2H)butanoate [ACD/IUPAC Name]
Ethyl-2-[(1,1,2,2-2H4)ethyl]-3-oxo(2-2H)butanoat [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: 190.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.6±0.3 mmHg at 25°C
Enthalpy of Vaporization: 42.6±3.0 kJ/mol
Flash Point: 75.7±18.5 °C
Index of Refraction: 1.420
Molar Refractivity: 40.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.60
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 4.29
ACD/KOC (pH 5.5): 98.71
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 4.29
ACD/KOC (pH 7.4): 98.70
Polar Surface Area: 43 Å2
Polarizability: 16.2±0.5 10-24cm3
Surface Tension: 29.8±3.0 dyne/cm
Molar Volume: 161.6±3.0 cm3

Click to predict properties on the Chemicalize site


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