ChemSpider 2D Image | Ethyl (~2~H_11_)hexanoate | C8H5D11O2

Ethyl (2H11)hexanoate

  • Molecular FormulaC8H5D11O2
  • Average mass155.279 Da
  • Monoisotopic mass155.184067 Da
  • ChemSpider ID24533700
  • Non-standard isotope - Non-standard isotope


More details:






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

(2H11)Hexanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl (2H11)hexanoate [ACD/IUPAC Name]
Ethyl-(2H11)hexanoat [German] [ACD/IUPAC Name]
Hexanoic-d11 acid, ethyl ester [ACD/Index Name]
2159-19-5 [RN]
Ethyl caproate
Ethyl Hexanoate-d11

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

Density: 0.9±0.1 g/cm3
Boiling Point: 167.9±3.0 °C at 760 mmHg
Vapour Pressure: 1.7±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.4±3.0 kJ/mol
Flash Point: 49.4±0.0 °C
Index of Refraction: 1.413
Molar Refractivity: 40.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.83
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 83.63
ACD/KOC (pH 5.5): 827.23
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 83.63
ACD/KOC (pH 7.4): 827.23
Polar Surface Area: 26 Å2
Polarizability: 16.2±0.5 10-24cm3
Surface Tension: 27.3±3.0 dyne/cm
Molar Volume: 164.1±3.0 cm3

Click to predict properties on the Chemicalize site






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