ChemSpider 2D Image | 2-Chloro-1,3-(~2~H_5_)propanediol | C3H2D5ClO2

2-Chloro-1,3-(2H5)propanediol

  • Molecular FormulaC3H2D5ClO2
  • Average mass115.570 Da
  • Monoisotopic mass115.044838 Da
  • ChemSpider ID48059277
  • Non-standard isotope - Non-standard isotope


More details:






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

1,3-Propane-1,1,2,3,3-d5-diol, 2-chloro- [ACD/Index Name]
2-Chlor-1,3-(2H5)propandiol [German] [ACD/IUPAC Name]
2-Chloro-1,3-(2H5)propanediol [ACD/IUPAC Name]
2-Chloro-1,3-(2H5)propanediol [French] [ACD/IUPAC Name]
1216764-05-4 [RN]
2-chloro-1,1,2,3,3-pentadeuteriopropane-1,3-diol
2-chloro-1,3-propanediol-d5 (major)

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

Density: 1.3±0.1 g/cm3
Boiling Point: 248.5±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 56.4±6.0 kJ/mol
Flash Point: 104.1±21.8 °C
Index of Refraction: 1.474
Molar Refractivity: 23.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.69
ACD/LogD (pH 5.5): -0.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.66
ACD/LogD (pH 7.4): -0.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.66
Polar Surface Area: 40 Å2
Polarizability: 9.4±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 84.8±3.0 cm3

Click to predict properties on the Chemicalize site






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