ChemSpider 2D Image | 1,3-(~2~H_4_)Benzenediol | C6H2D4O2

1,3-(2H4)Benzenediol

  • Molecular FormulaC6H2D4O2
  • Average mass114.135 Da
  • Monoisotopic mass114.061890 Da
  • ChemSpider ID62920064

  • Non-standard isotope - Non-standard isotope

More details:

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

1,3-(2H4)Benzenediol [ACD/IUPAC Name]
1,3-(2H4)Benzènediol [French] [ACD/IUPAC Name]
1,3-(2H4)Benzoldiol [German] [ACD/IUPAC Name]
1,3-Benzene-d4-diol [ACD/Index Name]
751455-55-7 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 280.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.0±3.0 kJ/mol
Flash Point: 131.9±12.8 °C
Index of Refraction: 1.612
Molar Refractivity: 30.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.76
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 2.69
ACD/KOC (pH 5.5): 70.61
ACD/LogD (pH 7.4): 0.86
ACD/BCF (pH 7.4): 2.66
ACD/KOC (pH 7.4): 69.99
Polar Surface Area: 40 Å2
Polarizability: 11.9±0.5 10-24cm3
Surface Tension: 57.2±3.0 dyne/cm
Molar Volume: 86.3±3.0 cm3

Click to predict properties on the Chemicalize site


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