ChemSpider 2D Image | Ethyl 3-(~2~H_3_)methyl(4,4,4-~2~H_3_)-2-butenoate | C7H6D6O2

Ethyl 3-(2H3)methyl(4,4,4-2H3)-2-butenoate

  • Molecular FormulaC7H6D6O2
  • Average mass134.206 Da
  • Monoisotopic mass134.121384 Da
  • ChemSpider ID23936103

  • Non-standard isotope - Non-standard isotope

More details:

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

2-Butenoic-4,4,4-d3 acid, 3-(methyl-d3)-, ethyl ester [ACD/Index Name]
3-(2H3)Méthyl(4,4,4-2H3)-2-buténoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3-(2H3)methyl(4,4,4-2H3)-2-butenoate [ACD/IUPAC Name]
Ethyl-3-(2H3)methyl(4,4,4-2H3)-2-butenoat [German] [ACD/IUPAC Name]
53439-15-9 [RN]
ETHYL 3-METHYL-2-BUTENOATE-D6

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

Density: 0.9±0.1 g/cm3
Boiling Point: 153.5±0.0 °C at 760 mmHg
Vapour Pressure: 3.3±0.2 mmHg at 25°C
Enthalpy of Vaporization: 39.0±3.0 kJ/mol
Flash Point: 33.9±0.0 °C
Index of Refraction: 1.426
Molar Refractivity: 36.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.40
ACD/LogD (pH 5.5): 2.08
ACD/BCF (pH 5.5): 22.58
ACD/KOC (pH 5.5): 324.09
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 22.58
ACD/KOC (pH 7.4): 324.09
Polar Surface Area: 26 Å2
Polarizability: 14.3±0.5 10-24cm3
Surface Tension: 26.1±3.0 dyne/cm
Molar Volume: 141.0±3.0 cm3

Click to predict properties on the Chemicalize site


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