ChemSpider 2D Image | 3-(~2~H_3_)Methyl-1,2-benzenediol | C7H5D3O2

3-(2H3)Methyl-1,2-benzenediol

  • Molecular FormulaC7H5D3O2
  • Average mass127.156 Da
  • Monoisotopic mass127.071259 Da
  • ChemSpider ID48062148

  • Non-standard isotope - Non-standard isotope

More details:

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

1,2-Benzenediol, 3-(methyl-d3)- [ACD/Index Name]
3-(2H3)Methyl-1,2-benzenediol [ACD/IUPAC Name]
3-(2H3)Méthyl-1,2-benzènediol [French] [ACD/IUPAC Name]
3-(2H3)Methyl-1,2-benzoldiol [German] [ACD/IUPAC Name]
1189946-33-5 [RN]
3-(2H3)Methylbenzene-1,2-diol
3-(trideuteriomethyl)benzene-1,2-diol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 240.9±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.7±3.0 kJ/mol
Flash Point: 116.7±16.4 °C
Index of Refraction: 1.595
Molar Refractivity: 34.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.34
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 10.59
ACD/KOC (pH 5.5): 188.49
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 10.54
ACD/KOC (pH 7.4): 187.58
Polar Surface Area: 40 Å2
Polarizability: 13.8±0.5 10-24cm3
Surface Tension: 51.6±3.0 dyne/cm
Molar Volume: 102.6±3.0 cm3

Click to predict properties on the Chemicalize site


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