ChemSpider 2D Image | 2-(~2~H_3_)Methyl-3-(1,1,1,2,3,4,4-~2~H_7_)hexanol | C7H6D10O

2-(2H3)Methyl-3-(1,1,1,2,3,4,4-2H7)hexanol

  • Molecular FormulaC7H6D10O
  • Average mass126.263 Da
  • Monoisotopic mass126.182884 Da
  • ChemSpider ID107439818

  • Non-standard isotope - Non-standard isotope

More details:

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

2-(2H3)Methyl-3-(1,1,1,2,3,4,4-2H7)hexanol [German] [ACD/IUPAC Name]
2-(2H3)Methyl-3-(1,1,1,2,3,4,4-2H7)hexanol [ACD/IUPAC Name]
2-(2H3)Méthyl-3-(1,1,1,2,3,4,4-2H7)hexanol [French] [ACD/IUPAC Name]
3-Hexan-1,1,1,2,3,4,4-d7-ol, 2-(methyl-d3)- [ACD/Index Name]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 145.5±0.0 °C at 760 mmHg
Vapour Pressure: 1.9±0.5 mmHg at 25°C
Enthalpy of Vaporization: 44.6±6.0 kJ/mol
Flash Point: 40.6±0.0 °C
Index of Refraction: 1.419
Molar Refractivity: 35.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.10
ACD/LogD (pH 5.5): 1.93
ACD/BCF (pH 5.5): 17.21
ACD/KOC (pH 5.5): 266.80
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 17.21
ACD/KOC (pH 7.4): 266.80
Polar Surface Area: 20 Å2
Polarizability: 14.2±0.5 10-24cm3
Surface Tension: 26.2±3.0 dyne/cm
Molar Volume: 142.3±3.0 cm3

Click to predict properties on the Chemicalize site


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