ChemSpider 2D Image | 3-(~2~H_3_)Methyl(~2~H_4_)phenol | C7HD7O

3-(2H3)Methyl(2H4)phenol

  • Molecular FormulaC7HD7O
  • Average mass115.181 Da
  • Monoisotopic mass115.101456 Da
  • ChemSpider ID24532356
  • Non-standard isotope - Non-standard isotope


More details:






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

202325-51-7 [RN]
3-(2H3)Methyl(2H4)phenol [ACD/IUPAC Name]
3-(2H3)Methyl(2H4)phenol [German] [ACD/IUPAC Name]
3-(2H3)Méthyl(2H4)phénol [French] [ACD/IUPAC Name]
Phen-2,3,4,6-d4-ol, 5-(methyl-d3)-
Phenol-2,3,4,6-d4, 5-(methyl-d3)- [ACD/Index Name]
1-Hydroxy-3-methylbenzene
3-Methylphenol
m-Cresol-d7
m-cresylic acid

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

Density: 1.0±0.1 g/cm3
Boiling Point: 202.3±0.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.6±3.0 kJ/mol
Flash Point: 86.1±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): 22.60
ACD/KOC (pH 7.4): 324.08
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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