ChemSpider 2D Image | MFCD01073984 | C7H3D5O

MFCD01073984

  • Molecular FormulaC7H3D5O
  • Average mass113.169 Da
  • Monoisotopic mass113.088898 Da
  • ChemSpider ID24532358
  • Non-standard isotope - Non-standard isotope


More details:






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

3646-98-8 [RN]
4-Methyl(O-2H5)phenol [ACD/IUPAC Name]
4-Methyl(O-2H5)phenol [German] [ACD/IUPAC Name]
4-Méthyl(O-2H5)phénol [French] [ACD/IUPAC Name]
4-Methylphenol-2,3,5,6-d4,OD
MFCD01073984
p-Cresol-2,3,5,6-d4,OD
Phenol-2,3,5,6-d4-d, 4-methyl- [ACD/Index Name]
4-Methylphenol
4-Methylphenol, 4-Hydroxytoluene

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

Density: 1.0±0.1 g/cm3
Boiling Point: 202.0±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: 81.0±8.2 °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): 22.61
ACD/KOC (pH 7.4): 324.27
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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