ChemSpider 2D Image | o-Cres-3,4,5,6-d4-ol | C7H4D4O

o-Cres-3,4,5,6-d4-ol

  • Molecular FormulaC7H4D4O
  • Average mass112.162 Da
  • Monoisotopic mass112.082619 Da
  • ChemSpider ID62897617

  • Non-standard isotope - Non-standard isotope

More details:

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

2-Methyl(2H4)phenol [German] [ACD/IUPAC Name]
2-Methyl(2H4)phenol [ACD/IUPAC Name]
2-Méthyl(2H4)phénol [French] [ACD/IUPAC Name]
3646-99-9 [RN]
o-Cres-3,4,5,6-d4-ol
Phenol-2,3,4,5-d4, 6-methyl- [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: 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

Click to predict properties on the Chemicalize site


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