ChemSpider 2D Image | 3-Methyl-2-(~2~H_3_)methylphenol | C8H7D3O

3-Methyl-2-(2H3)methylphenol

  • Molecular FormulaC8H7D3O
  • Average mass125.183 Da
  • Monoisotopic mass125.091995 Da
  • ChemSpider ID17256129

  • Non-standard isotope - Non-standard isotope

More details:

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

3-Methyl-2-(2H3)methylphenol [ACD/IUPAC Name]
3-Methyl-2-(2H3)methylphenol [German] [ACD/IUPAC Name]
3-Méthyl-2-(2H3)méthylphénol [French] [ACD/IUPAC Name]
Phenol, 3-methyl-2-(methyl-d3)- [ACD/Index 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: 216.9±0.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 47.2±3.0 kJ/mol
Flash Point: 90.7±7.2 °C
Index of Refraction: 1.540
Molar Refractivity: 37.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.40
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 36.56
ACD/KOC (pH 5.5): 457.53
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 36.53
ACD/KOC (pH 7.4): 457.10
Polar Surface Area: 20 Å2
Polarizability: 15.0±0.5 10-24cm3
Surface Tension: 37.3±3.0 dyne/cm
Molar Volume: 120.4±3.0 cm3

Click to predict properties on the Chemicalize site


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