ChemSpider 2D Image | 5-(~2~H_3_)Methyl-3-(~2~H_14_)heptan(~2~H)ol | C8D18O

5-(2H3)Methyl-3-(2H14)heptan(2H)ol

  • Molecular FormulaC8D18O
  • Average mass148.339 Da
  • Monoisotopic mass148.248749 Da
  • ChemSpider ID30773467

  • Non-standard isotope - Non-standard isotope

More details:

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

3-Heptan-1,1,1,2,2,3,4,4,5,6,6,7,7,7-d14-ol-d, 5-(methyl-d3)- [ACD/Index Name]
5-(2H3)Methyl-3-(2H14)heptan(2H)ol [German] [ACD/IUPAC Name]
5-(2H3)Methyl-3-(2H14)heptan(2H)ol [ACD/IUPAC Name]
5-(2H3)Méthyl-3-(2H14)heptan(2H)ol [French] [ACD/IUPAC Name]
5-Methyl-3-heptanol [ACD/IUPAC Name]
5-Methyl-3-heptyl Alcohol-d18 (mixture of stereoisomers)
5-methylheptan-3-ol

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

Density: 0.8±0.1 g/cm3
Boiling Point: 167.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.6±0.6 mmHg at 25°C
Enthalpy of Vaporization: 47.0±6.0 kJ/mol
Flash Point: 64.2±8.7 °C
Index of Refraction: 1.424
Molar Refractivity: 40.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.58
ACD/KOC (pH 5.5): 560.79
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 48.58
ACD/KOC (pH 7.4): 560.79
Polar Surface Area: 20 Å2
Polarizability: 16.1±0.5 10-24cm3
Surface Tension: 27.0±3.0 dyne/cm
Molar Volume: 158.8±3.0 cm3

Click to predict properties on the Chemicalize site


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