ChemSpider 2D Image | Methyl (5,5,6,6,6-~2~H_5_)hexanoate | C7H9D5O2

Methyl (5,5,6,6,6-2H5)hexanoate

  • Molecular FormulaC7H9D5O2
  • Average mass135.216 Da
  • Monoisotopic mass135.130768 Da
  • ChemSpider ID107439622
  • Non-standard isotope - Non-standard isotope


More details:






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

(5,5,6,6,6-2H5)Hexanoate de méthyle [French] [ACD/IUPAC Name]
Hexanoic-5,5,6,6,6-d5 acid, methyl ester [ACD/Index Name]
Methyl (5,5,6,6,6-2H5)hexanoate [ACD/IUPAC Name]
Methyl-(5,5,6,6,6-2H5)hexanoat [German] [ACD/IUPAC Name]
1394230-20-6 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 149.8±3.0 °C at 760 mmHg
Vapour Pressure: 4.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 38.5±0.0 kJ/mol
Flash Point: 45.0±0.0 °C
Index of Refraction: 1.406
Molar Refractivity: 36.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.30
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.14
ACD/KOC (pH 5.5): 557.12
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 48.14
ACD/KOC (pH 7.4): 557.12
Polar Surface Area: 26 Å2
Polarizability: 14.4±0.5 10-24cm3
Surface Tension: 26.7±3.0 dyne/cm
Molar Volume: 147.6±3.0 cm3

Click to predict properties on the Chemicalize site






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