Found 5 results

Search term: XNCNNDVCAUWAIT (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Methyl (6,6,7,7,7-~2~H_5_)heptanoate | C8H11D5O2

Methyl (6,6,7,7,7-2H5)heptanoate

  • Molecular FormulaC8H11D5O2
  • Average mass149.242 Da
  • Monoisotopic mass149.146408 Da
  • ChemSpider ID107439802

  • Non-standard isotope - Non-standard isotope

More details:

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

(6,6,7,7,7-2H5)Heptanoate de méthyle [French] [ACD/IUPAC Name]
Heptanoic-6,6,7,7,7-d5 acid, methyl ester [ACD/Index Name]
Methyl (6,6,7,7,7-2H5)heptanoate [ACD/IUPAC Name]
Methyl-(6,6,7,7,7-2H5)heptanoat [German] [ACD/IUPAC 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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