ChemSpider 2D Image | Diethyl (2E,6E)-2,6-octadienedioate | C12H18O4

Diethyl (2E,6E)-2,6-octadienedioate

  • Molecular FormulaC12H18O4
  • Average mass226.269 Da
  • Monoisotopic mass226.120514 Da
  • ChemSpider ID30992550
  • Double-bond stereo - Double-bond stereo


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2E,6E)-2,6-Octadiènedioate de diéthyle [French] [ACD/IUPAC Name]
2,6-Octadienedioic acid, diethyl ester, (2E,6E)- [ACD/Index Name]
Diethyl (2E,6E)-2,6-octadienedioate [ACD/IUPAC Name]
Diethyl-(2E,6E)-2,6-octadiendioat [German] [ACD/IUPAC Name]
15898-58-5 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 317.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.8±3.0 kJ/mol
Flash Point: 151.7±26.3 °C
Index of Refraction: 1.467
Molar Refractivity: 61.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 103.35
ACD/KOC (pH 5.5): 962.62
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 103.35
ACD/KOC (pH 7.4): 962.62
Polar Surface Area: 53 Å2
Polarizability: 24.3±0.5 10-24cm3
Surface Tension: 34.1±3.0 dyne/cm
Molar Volume: 220.8±3.0 cm3

Click to predict properties on the Chemicalize site






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