ChemSpider 2D Image | 3-Chloro-1-(1,1-~2~H_2_)propanol | C3H5D2ClO

3-Chloro-1-(1,1-2H2)propanol

  • Molecular FormulaC3H5D2ClO
  • Average mass96.552 Da
  • Monoisotopic mass96.031097 Da
  • ChemSpider ID30904156
  • Non-standard isotope - Non-standard isotope


More details:






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

1-Propan-1,1-d2-ol, 3-chloro- [ACD/Index Name]
3-Chlor-1-(1,1-2H2)propanol [German] [ACD/IUPAC Name]
3-Chloro-1-(1,1-2H2)propanol [ACD/IUPAC Name]
3-Chloro-1-(1,1-2H2)propanol [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 165.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.6±0.6 mmHg at 25°C
Enthalpy of Vaporization: 46.8±6.0 kJ/mol
Flash Point: 73.3±0.0 °C
Index of Refraction: 1.427
Molar Refractivity: 22.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.50
ACD/LogD (pH 5.5): 0.66
ACD/BCF (pH 5.5): 1.87
ACD/KOC (pH 5.5): 54.49
ACD/LogD (pH 7.4): 0.66
ACD/BCF (pH 7.4): 1.87
ACD/KOC (pH 7.4): 54.49
Polar Surface Area: 20 Å2
Polarizability: 8.9±0.5 10-24cm3
Surface Tension: 31.9±3.0 dyne/cm
Molar Volume: 86.9±3.0 cm3

Click to predict properties on the Chemicalize site






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