ChemSpider 2D Image | (~2~H_5_)Ethyl 4-methylpentanoate | C8H11D5O2

(2H5)Ethyl 4-methylpentanoate

  • Molecular FormulaC8H11D5O2
  • Average mass149.242 Da
  • Monoisotopic mass149.146408 Da
  • ChemSpider ID58794058

  • Non-standard isotope - Non-standard isotope

More details:

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

(2H5)Ethyl 4-methylpentanoate [ACD/IUPAC Name]
(2H5)Ethyl-4-methylpentanoat [German] [ACD/IUPAC Name]
4-Méthylpentanoate de (2H5)éthyle [French] [ACD/IUPAC Name]
Pentanoic acid, 4-methyl-, 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: 156.3±8.0 °C at 760 mmHg
Vapour Pressure: 2.9±0.3 mmHg at 25°C
Enthalpy of Vaporization: 39.3±3.0 kJ/mol
Flash Point: 46.7±8.3 °C
Index of Refraction: 1.411
Molar Refractivity: 40.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.65
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 40.51
ACD/KOC (pH 5.5): 492.37
ACD/LogD (pH 7.4): 2.42
ACD/BCF (pH 7.4): 40.51
ACD/KOC (pH 7.4): 492.37
Polar Surface Area: 26 Å2
Polarizability: 16.2±0.5 10-24cm3
Surface Tension: 26.3±3.0 dyne/cm
Molar Volume: 164.4±3.0 cm3

Click to predict properties on the Chemicalize site


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