ChemSpider 2D Image | 3-MCPD-D5 | C3H2D5ClO2

3-MCPD-D5

  • Molecular FormulaC3H2D5ClO2
  • Average mass115.570 Da
  • Monoisotopic mass115.044838 Da
  • ChemSpider ID24532329
  • Non-standard isotope - Non-standard isotope


More details:






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

1,2-Propane-1,1,2,3,3-d5-diol, 3-chloro- [ACD/Index Name]
342611-01-2 [RN]
3-Chlor-1,2-(2H5)propandiol [German] [ACD/IUPAC Name]
3-Chloro(2H5)propane-1,2-diol
3-Chloro-1,2-(2H5)propanediol [ACD/IUPAC Name]
3-Chloro-1,2-(2H5)propanediol [French] [ACD/IUPAC Name]
3-CHLORO-1,2-PROPANEDIOL-1,1,2,3,3-D5
3-MCPD-D5
MFCD01317355
(?)-3-Chloro-1,2-propane-d5-diol
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 213.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 52.3±6.0 kJ/mol
Flash Point: 113.3±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: -0.76
ACD/LogD (pH 5.5): -0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.14
ACD/LogD (pH 7.4): -0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.14
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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