ChemSpider 2D Image | 2-[(1,2,2-~2~H_3_)Ethyl]phenol | C8H7D3O

2-[(1,2,2-2H3)Ethyl]phenol

  • Molecular FormulaC8H7D3O
  • Average mass125.183 Da
  • Monoisotopic mass125.091995 Da
  • ChemSpider ID26599425

  • Non-standard isotope - Non-standard isotope

More details:

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

2-[(1,2,2-2H3)Ethyl]phenol [German] [ACD/IUPAC Name]
2-[(1,2,2-2H3)Ethyl]phenol [ACD/IUPAC Name]
2-[(1,2,2-2H3)Éthyl]phénol [French] [ACD/IUPAC Name]
Phenol, 2-(ethyl-1,2,2-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: 204.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.9±3.0 kJ/mol
Flash Point: 78.3±0.0 °C
Index of Refraction: 1.537
Molar Refractivity: 37.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 54.54
ACD/KOC (pH 5.5): 609.17
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 54.47
ACD/KOC (pH 7.4): 608.37
Polar Surface Area: 20 Å2
Polarizability: 14.9±0.5 10-24cm3
Surface Tension: 37.6±3.0 dyne/cm
Molar Volume: 120.7±3.0 cm3

Click to predict properties on the Chemicalize site


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