ChemSpider 2D Image | Propane-1,3-diol | C3H6D2O2

Propane-1,3-diol

  • Molecular FormulaC3H6D2O2
  • Average mass78.107 Da
  • Monoisotopic mass78.064980 Da
  • ChemSpider ID24532885

  • Non-standard isotope - Non-standard isotope

More details:

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

(2,2-2H2)Propane-1,3-diol
1,3-(2,2-2H2)Propandiol [German] [ACD/IUPAC Name]
1,3-(2,2-2H2)Propanediol [ACD/IUPAC Name]
1,3-(2,2-2H2)Propanediol [French] [ACD/IUPAC Name]
1,3-Propane-2,2-d2-diol [ACD/Index Name]
1,3-PROPANE-2,2-D2-DIOL
38645-14-6 [RN]
Propane-1,3-diol
1,3-Dihydroxypropane, Trimethylene Glycol, 1,3-Propylene Glycol
1,3-Propylene glycol
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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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