ChemSpider 2D Image | MFCD01074057 | C3H2D6O2

MFCD01074057

  • Molecular FormulaC3H2D6O2
  • Average mass82.131 Da
  • Monoisotopic mass82.090088 Da
  • ChemSpider ID24532886

  • Non-standard isotope - Non-standard isotope

More details:

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

(2H6)Propane-1,3-diol
1,3-(2H6)Propandiol [German] [ACD/IUPAC Name]
1,3-(2H6)Propanediol [ACD/IUPAC Name]
1,3-(2H6)Propanediol [French] [ACD/IUPAC Name]
1,3-Propane-d6-diol [ACD/Index Name]
1,3-PROPANE-D6-DIOL
1,3-Propanediol [ACD/Index Name] [ACD/IUPAC Name]
284474-77-7 [RN]
MFCD01074057
1,1,2,2,3,3-hexadeuteriopropane-1,3-diol
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 214.4±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 52.4±6.0 kJ/mol
Flash Point: 79.4±0.0 °C
Index of Refraction: 1.434
Molar Refractivity: 19.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.04
ACD/LogD (pH 5.5): -1.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.78
ACD/LogD (pH 7.4): -1.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.78
Polar Surface Area: 40 Å2
Polarizability: 7.5±0.5 10-24cm3
Surface Tension: 41.1±3.0 dyne/cm
Molar Volume: 73.1±3.0 cm3

Click to predict properties on the Chemicalize site


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