ChemSpider 2D Image | Bis[(~2~H_9_)butyl] sebacate | C18H16D18O4

Bis[(2H9)butyl] sebacate

  • Molecular FormulaC18H16D18O4
  • Average mass332.571 Da
  • Monoisotopic mass332.358704 Da
  • ChemSpider ID60498118

  • Non-standard isotope - Non-standard isotope

More details:

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

Bis[(2H9)butyl] sebacate [ACD/IUPAC Name]
Bis[(2H9)butyl]sebacat [German] [ACD/IUPAC Name]
Decanedioic acid, dibutyl-d9 ester [ACD/Index Name]
Sébacate de bis[(2H9)butyle] [French] [ACD/IUPAC Name]
Di(n-butyl-d9) 1,10-Decanedioate
D-n-butyl Sebacate

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

Density: 0.9±0.1 g/cm3
Boiling Point: 351.3±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.6±3.0 kJ/mol
Flash Point: 157.5±17.4 °C
Index of Refraction: 1.448
Molar Refractivity: 89.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 5.97
ACD/LogD (pH 5.5): 5.76
ACD/BCF (pH 5.5): 13946.20
ACD/KOC (pH 5.5): 32224.76
ACD/LogD (pH 7.4): 5.76
ACD/BCF (pH 7.4): 13946.20
ACD/KOC (pH 7.4): 32224.76
Polar Surface Area: 53 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 33.1±3.0 dyne/cm
Molar Volume: 332.6±3.0 cm3

Click to predict properties on the Chemicalize site


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