ChemSpider 2D Image | Ethyl (2E)-3-{4-hydroxy-3-[(~2~H_3_)methyloxy]phenyl}acrylate | C12H11D3O4

Ethyl (2E)-3-{4-hydroxy-3-[(2H3)methyloxy]phenyl}acrylate

  • Molecular FormulaC12H11D3O4
  • Average mass225.256 Da
  • Monoisotopic mass225.108032 Da
  • ChemSpider ID8926987

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

(2E)-3-{4-Hydroxy-3-[(2H3)méthyloxy]phényl}acrylate d'éthyle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-[4-hydroxy-3-(methyl-d3-oxy)phenyl]-, ethyl ester, (2E)- [ACD/Index Name]
Ethyl (2E)-3-{4-hydroxy-3-[(2H3)methyloxy]phenyl}acrylate [ACD/IUPAC Name]
Ethyl-(2E)-3-{4-hydroxy-3-[(2H3)methyloxy]phenyl}acrylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 382.3±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.5±3.0 kJ/mol
Flash Point: 132.5±17.2 °C
Index of Refraction: 1.566
Molar Refractivity: 61.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.94
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 27.05
ACD/KOC (pH 5.5): 368.72
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 26.19
ACD/KOC (pH 7.4): 357.07
Polar Surface Area: 56 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 189.3±3.0 cm3

Click to predict properties on the Chemicalize site


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