ChemSpider 2D Image | 4-(~2~H_3_)Methyl-1-(4,5,5,5-~2~H_4_)pentanol | C6H7D7O

4-(2H3)Methyl-1-(4,5,5,5-2H4)pentanol

  • Molecular FormulaC6H7D7O
  • Average mass109.218 Da
  • Monoisotopic mass109.148399 Da
  • ChemSpider ID35466611

  • Non-standard isotope - Non-standard isotope

More details:

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

1-Pentan-4,5,5,5-d4-ol, 4-(methyl-d3)- [ACD/Index Name]
4-(2H3)Methyl-1-(4,5,5,5-2H4)pentanol [German] [ACD/IUPAC Name]
4-(2H3)Methyl-1-(4,5,5,5-2H4)pentanol [ACD/IUPAC Name]
4-(2H3)Méthyl-1-(4,5,5,5-2H4)pentanol [French] [ACD/IUPAC Name]
1246819-30-6 [RN]
4-(2H3)Methyl(4,5,5,5-2H4)pentan-1-ol
Isohexanol-d7

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

Density: 0.8±0.1 g/cm3
Boiling Point: 151.6±0.0 °C at 760 mmHg
Vapour Pressure: 1.4±0.6 mmHg at 25°C
Enthalpy of Vaporization: 44.5±0.0 kJ/mol
Flash Point: 51.7±0.0 °C
Index of Refraction: 1.414
Molar Refractivity: 31.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.75
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 10.63
ACD/KOC (pH 5.5): 188.93
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 10.63
ACD/KOC (pH 7.4): 188.93
Polar Surface Area: 20 Å2
Polarizability: 12.4±0.5 10-24cm3
Surface Tension: 26.6±3.0 dyne/cm
Molar Volume: 125.5±3.0 cm3

Click to predict properties on the Chemicalize site


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