ChemSpider 2D Image | 2-(~2~H_3_)Methylphenol | C7H5D3O

2-(2H3)Methylphenol

  • Molecular FormulaC7H5D3O
  • Average mass111.156 Da
  • Monoisotopic mass111.076347 Da
  • ChemSpider ID24533608
  • Non-standard isotope - Non-standard isotope


More details:






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

2-(2H3)Methylphenol [ACD/IUPAC Name]
2-(2H3)Methylphenol [German] [ACD/IUPAC Name]
2-(2H3)Méthylphénol [French] [ACD/IUPAC Name]
Phenol, 2-(methyl-d3)- [ACD/Index Name]
2-(Methyl-d3)-phenol
o-Cresol-d3 (methyl-d3)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 191.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.4±0.3 mmHg at 25°C
Enthalpy of Vaporization: 44.5±3.0 kJ/mol
Flash Point: 81.1±0.0 °C
Index of Refraction: 1.546
Molar Refractivity: 33.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.94
ACD/LogD (pH 5.5): 2.09
ACD/BCF (pH 5.5): 22.65
ACD/KOC (pH 5.5): 324.76
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 22.62
ACD/KOC (pH 7.4): 324.37
Polar Surface Area: 20 Å2
Polarizability: 13.1±0.5 10-24cm3
Surface Tension: 38.8±3.0 dyne/cm
Molar Volume: 104.1±3.0 cm3

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