ChemSpider 2D Image | (~2~H_3_)Methyl (2E)-2-butenoate | C5H5D3O2

(2H3)Methyl (2E)-2-butenoate

  • Molecular FormulaC5H5D3O2
  • Average mass103.134 Da
  • Monoisotopic mass103.071259 Da
  • ChemSpider ID48057553

  • 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

(2H3)Methyl (2E)-2-butenoate [ACD/IUPAC Name]
(2H3)Methyl-(2E)-2-butenoat [German] [ACD/IUPAC Name]
(2E)-2-Buténoate de (2H3)méthyle [French] [ACD/IUPAC Name]
2-Butenoic acid, methyl-d3 ester, (2E)- [ACD/Index Name]
(E)-Crotonic Acid Methyl-d3 Ester
35717-07-8 [RN]

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

    Density: 0.9±0.1 g/cm3
    Boiling Point: 121.0±0.0 °C at 760 mmHg
    Vapour Pressure: 14.9±0.2 mmHg at 25°C
    Enthalpy of Vaporization: 35.9±3.0 kJ/mol
    Flash Point: 4.4±0.0 °C
    Index of Refraction: 1.414
    Molar Refractivity: 27.0±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.32
    ACD/LogD (pH 5.5): 1.19
    ACD/BCF (pH 5.5): 4.72
    ACD/KOC (pH 5.5): 105.66
    ACD/LogD (pH 7.4): 1.19
    ACD/BCF (pH 7.4): 4.72
    ACD/KOC (pH 7.4): 105.66
    Polar Surface Area: 26 Å2
    Polarizability: 10.7±0.5 10-24cm3
    Surface Tension: 25.5±3.0 dyne/cm
    Molar Volume: 108.2±3.0 cm3

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