ChemSpider 2D Image | (~2~H_3_)Methyl heptanoate | C8H13D3O2

(2H3)Methyl heptanoate

  • Molecular FormulaC8H13D3O2
  • Average mass147.230 Da
  • Monoisotopic mass147.133865 Da
  • ChemSpider ID58780013

  • Non-standard isotope - Non-standard isotope

More details:

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

(2H3)Methyl heptanoate [ACD/IUPAC Name]
(2H3)Methyl-heptanoat [German] [ACD/IUPAC Name]
Heptanoate de (2H3)méthyle [French] [ACD/IUPAC Name]
Heptanoic acid, methyl-d3 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: 171.0±3.0 °C at 760 mmHg
Vapour Pressure: 1.4±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.7±3.0 kJ/mol
Flash Point: 52.8±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): 82.90
ACD/KOC (pH 5.5): 822.06
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 82.90
ACD/KOC (pH 7.4): 822.06
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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