ChemSpider 2D Image | (~2~H_5_)Ethyl heptanoate | C9H13D5O2

(2H5)Ethyl heptanoate

  • Molecular FormulaC9H13D5O2
  • Average mass163.269 Da
  • Monoisotopic mass163.162064 Da
  • ChemSpider ID58779996

  • Non-standard isotope - Non-standard isotope

More details:

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

(2H5)Ethyl heptanoate [ACD/IUPAC Name]
(2H5)Ethyl-heptanoat [German] [ACD/IUPAC Name]
Heptanoate de (2H5)éthyle [French] [ACD/IUPAC Name]
Heptanoic acid, ethyl-d5 ester [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: 188.3±3.0 °C at 760 mmHg
Vapour Pressure: 0.6±0.4 mmHg at 25°C
Enthalpy of Vaporization: 42.5±3.0 kJ/mol
Flash Point: 66.1±0.0 °C
Index of Refraction: 1.418
Molar Refractivity: 45.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 145.35
ACD/KOC (pH 5.5): 1228.77
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 145.35
ACD/KOC (pH 7.4): 1228.77
Polar Surface Area: 26 Å2
Polarizability: 18.0±0.5 10-24cm3
Surface Tension: 27.9±3.0 dyne/cm
Molar Volume: 180.6±3.0 cm3

Click to predict properties on the Chemicalize site


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