ChemSpider 2D Image | Ethyl (2Z)-7-methyl-3-(~2~H_3_)methyl(2,4,4-~2~H_3_)-2,6-octadienoate | C12H14D6O2

Ethyl (2Z)-7-methyl-3-(2H3)methyl(2,4,4-2H3)-2,6-octadienoate

  • Molecular FormulaC12H14D6O2
  • Average mass202.323 Da
  • Monoisotopic mass202.183990 Da
  • ChemSpider ID107436638

  • 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

(2Z)-7-Méthyl-3-(2H3)méthyl(2,4,4-2H3)-2,6-octadiénoate d'éthyle [French] [ACD/IUPAC Name]
2,6-Octadienoic-2,4,4-d3 acid, 7-methyl-3-(methyl-d3)-, ethyl ester, (2Z)- [ACD/Index Name]
Ethyl (2Z)-7-methyl-3-(2H3)methyl(2,4,4-2H3)-2,6-octadienoate [ACD/IUPAC Name]
Ethyl-(2Z)-7-methyl-3-(2H3)methyl(2,4,4-2H3)-2,6-octadienoat [German] [ACD/IUPAC 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: 266.1±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.4±3.0 kJ/mol
Flash Point: 119.8±12.6 °C
Index of Refraction: 1.458
Molar Refractivity: 59.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.50
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 583.55
ACD/KOC (pH 5.5): 3323.23
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 583.55
ACD/KOC (pH 7.4): 3323.23
Polar Surface Area: 26 Å2
Polarizability: 23.5±0.5 10-24cm3
Surface Tension: 28.5±3.0 dyne/cm
Molar Volume: 216.9±3.0 cm3

Click to predict properties on the Chemicalize site


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