ChemSpider 2D Image | 2,2-Dimethyl-1,3-(~2~H_4_)propanediol | C5H8D4O2

2,2-Dimethyl-1,3-(2H4)propanediol

  • Molecular FormulaC5H8D4O2
  • Average mass108.172 Da
  • Monoisotopic mass108.108833 Da
  • ChemSpider ID114810572

  • Non-standard isotope - Non-standard isotope

More details:

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

1,3-Propane-1,1,3,3-d4-diol, 2,2-dimethyl- [ACD/Index Name]
2,2-Dimethyl-1,3-(2H4)propandiol [German] [ACD/IUPAC Name]
2,2-Dimethyl-1,3-(2H4)propanediol [ACD/IUPAC Name]
2,2-Diméthyl-1,3-(2H4)propanediol [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 209.8±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 51.9±6.0 kJ/mol
Flash Point: 107.2±0.0 °C
Index of Refraction: 1.445
Molar Refractivity: 28.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.34
ACD/LogD (pH 5.5): -0.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.05
ACD/LogD (pH 7.4): -0.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.05
Polar Surface Area: 40 Å2
Polarizability: 11.2±0.5 10-24cm3
Surface Tension: 35.8±3.0 dyne/cm
Molar Volume: 106.1±3.0 cm3

Click to predict properties on the Chemicalize site


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