ChemSpider 2D Image | 1-(1,1,2,2,3,3,4,4,5-~2~H_9_)Pentanol | C5H3D9O

1-(1,1,2,2,3,3,4,4,5-2H9)Pentanol

  • Molecular FormulaC5H3D9O
  • Average mass97.204 Da
  • Monoisotopic mass97.145309 Da
  • ChemSpider ID32818442

  • Non-standard isotope - Non-standard isotope

More details:

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

1-(1,1,2,2,3,3,4,4,5-2H9)Pentanol [German] [ACD/IUPAC Name]
1-(1,1,2,2,3,3,4,4,5-2H9)Pentanol [ACD/IUPAC Name]
1-(1,1,2,2,3,3,4,4,5-2H9)Pentanol [French] [ACD/IUPAC Name]
1-Pentan-1,1,2,2,3,3,4,4,5-d9-ol [ACD/Index Name]
148587-12-6 [RN]
n-Pentyl-2,2,3,3,4,4,5,5,5-d9 Alcohol

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

Density: 0.8±0.1 g/cm3
Boiling Point: 138.5±3.0 °C at 760 mmHg
Vapour Pressure: 2.8±0.5 mmHg at 25°C
Enthalpy of Vaporization: 43.8±6.0 kJ/mol
Flash Point: 48.9±0.0 °C
Index of Refraction: 1.407
Molar Refractivity: 26.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.41
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 9.62
ACD/KOC (pH 5.5): 175.89
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 9.62
ACD/KOC (pH 7.4): 175.89
Polar Surface Area: 20 Å2
Polarizability: 10.6±0.5 10-24cm3
Surface Tension: 27.1±3.0 dyne/cm
Molar Volume: 108.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement