ChemSpider 2D Image | 2-Phenyl-1,3-(1,1,3,3-~2~H_4_)propanediol | C9H8D4O2

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

  • Molecular FormulaC9H8D4O2
  • Average mass156.215 Da
  • Monoisotopic mass156.108841 Da
  • ChemSpider ID19147645

  • 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-phenyl- [ACD/Index Name]
2-Phenyl-1,3-(1,1,3,3-2H4)propandiol [German] [ACD/IUPAC Name]
2-Phenyl-1,3-(1,1,3,3-2H4)propanediol [ACD/IUPAC Name]
2-Phényl-1,3-(1,1,3,3-2H4)propanediol [French] [ACD/IUPAC Name]
1,1,3,3-tetradeuterio-2-phenylpropane-1,3-diol
2-Phenyl(1,1,3,3-2H4)propane-1,3-diol
2-Phenyl-1,3-propanediol-d4
98704-00-8 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 310.6±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.2±3.0 kJ/mol
Flash Point: 153.8±16.9 °C
Index of Refraction: 1.560
Molar Refractivity: 43.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.48
ACD/LogD (pH 5.5): 0.71
ACD/BCF (pH 5.5): 2.03
ACD/KOC (pH 5.5): 57.70
ACD/LogD (pH 7.4): 0.71
ACD/BCF (pH 7.4): 2.03
ACD/KOC (pH 7.4): 57.70
Polar Surface Area: 40 Å2
Polarizability: 17.2±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 134.5±3.0 cm3

Click to predict properties on the Chemicalize site


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