ChemSpider 2D Image | Ethyl (2E)-3-[(2,3,4-~2~H_3_)phenyl](~2~H_2_)-2-propenoate | C11H7D5O2

Ethyl (2E)-3-[(2,3,4-2H3)phenyl](2H2)-2-propenoate

  • Molecular FormulaC11H7D5O2
  • Average mass181.243 Da
  • Monoisotopic mass181.115112 Da
  • ChemSpider ID32816770
  • 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-[(2,3,4-2H3)Phényl](2H2)-2-propénoate d'éthyle [French] [ACD/IUPAC Name]
2-Propenoic-2,3-d2 acid, 3-(phenyl-2,3,4-d3)-, ethyl ester, (2E)- [ACD/Index Name]
Ethyl (2E)-3-[(2,3,4-2H3)phenyl](2H2)-2-propenoate [ACD/IUPAC Name]
Ethyl-(2E)-3-[(2,3,4-2H3)phenyl](2H2)-2-propenoat [German] [ACD/IUPAC Name]
856765-68-9 [RN]
Ethyl trans-Cinnamate-d5 (phenyl-d5)
Ethyl trans-cinnamate-d5(phenyl-d5)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 269.4±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 50.7±3.0 kJ/mol
Flash Point: 148.6±9.9 °C
Index of Refraction: 1.550
Molar Refractivity: 53.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.71
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 85.78
ACD/KOC (pH 5.5): 842.39
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 85.78
ACD/KOC (pH 7.4): 842.39
Polar Surface Area: 26 Å2
Polarizability: 21.1±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 166.9±3.0 cm3

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