ChemSpider 2D Image | Ethyl (E)-2-benzylidene-3-oxobutyrate | C13H14O3

Ethyl (E)-2-benzylidene-3-oxobutyrate

  • Molecular FormulaC13H14O3
  • Average mass218.249 Da
  • Monoisotopic mass218.094299 Da
  • ChemSpider ID23088906

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-Benzylidène-3-oxobutanoate d'éthyle [French] [ACD/IUPAC Name]
15802-62-7 [RN]
2OVYV1&U1R &&E Form [WLN]
Butanoic acid, 3-oxo-2-(phenylmethylene)-, ethyl ester, (2E)- [ACD/Index Name]
Ethyl (E)-2-benzylidene-3-oxobutyrate [ACD/IUPAC Name]
Ethyl-(2E)-2-benzyliden-3-oxobutanoat [German] [ACD/IUPAC Name]
(2E)-3-Oxo-2-(phenylmethylene)butanoic acid ethyl ester
(E)-2-Acetyl-3-phenylacrylic acid ethyl ester
2B50D0O5PD
Cinnamic acid, α-acetyl-, ethyl ester
More...

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

CCRIS 4693 [DBID]
NCIOpen2_003339 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 296.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.6±3.0 kJ/mol
Flash Point: 111.9±18.2 °C
Index of Refraction: 1.546
Molar Refractivity: 62.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.21
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 37.53
ACD/KOC (pH 5.5): 466.19
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 37.53
ACD/KOC (pH 7.4): 466.19
Polar Surface Area: 43 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 196.8±3.0 cm3

Click to predict properties on the Chemicalize site


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