ChemSpider 2D Image | (~2~H_3_)Methyl (2E,4E)-2,4-hexadienoate | C7H7D3O2

(2H3)Methyl (2E,4E)-2,4-hexadienoate

  • Molecular FormulaC7H7D3O2
  • Average mass129.172 Da
  • Monoisotopic mass129.086914 Da
  • ChemSpider ID58794508

  • 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,4E)-2,4-hexadienoate [ACD/IUPAC Name]
(2H3)Methyl-(2E,4E)-2,4-hexadienoat [German] [ACD/IUPAC Name]
(2E,4E)-2,4-Hexadiénoate de (2H3)méthyle [French] [ACD/IUPAC Name]
2,4-Hexadienoic acid, methyl-d3 ester, (2E,4E)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 180.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.9±0.3 mmHg at 25°C
Enthalpy of Vaporization: 41.6±3.0 kJ/mol
Flash Point: 63.1±9.9 °C
Index of Refraction: 1.452
Molar Refractivity: 36.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.86
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 22.00
ACD/KOC (pH 5.5): 318.05
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 22.00
ACD/KOC (pH 7.4): 318.05
Polar Surface Area: 26 Å2
Polarizability: 14.4±0.5 10-24cm3
Surface Tension: 27.9±3.0 dyne/cm
Molar Volume: 134.8±3.0 cm3

Click to predict properties on the Chemicalize site


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