ChemSpider 2D Image | (2E)-3,7-Dimethyl(1,1-~2~H_2_)-2,6-octadien-1-yl acetate | C12H18D2O2

(2E)-3,7-Dimethyl(1,1-2H2)-2,6-octadien-1-yl acetate

  • Molecular FormulaC12H18D2O2
  • Average mass198.298 Da
  • Monoisotopic mass198.158890 Da
  • ChemSpider ID9739428

  • 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)-3,7-Dimethyl(1,1-2H2)-2,6-octadien-1-yl acetate [ACD/IUPAC Name]
(2E)-3,7-Dimethyl(1,1-2H2)-2,6-octadien-1-yl-acetat [German] [ACD/IUPAC Name]
2,6-Octadien-1,1-d2-1-ol, 3,7-dimethyl-, acetate, (2E)- [ACD/Index Name]
Acétate de (2E)-3,7-diméthyl(1,1-2H2)-2,6-octadién-1-yle [French] [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: 247.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.5±3.0 kJ/mol
Flash Point: 98.9±0.0 °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: 4.10
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 545.72
ACD/KOC (pH 5.5): 3167.56
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 545.72
ACD/KOC (pH 7.4): 3167.56
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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