ChemSpider 2D Image | 1-(3,4-Difluorophenyl)-2,3,3-trimethyl-2-butanol | C13H18F2O

1-(3,4-Difluorophenyl)-2,3,3-trimethyl-2-butanol

  • Molecular FormulaC13H18F2O
  • Average mass228.278 Da
  • Monoisotopic mass228.132568 Da
  • ChemSpider ID45004841

More details:

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

1-(3,4-Difluorophenyl)-2,3,3-trimethyl-2-butanol [ACD/IUPAC Name]
1-(3,4-Difluorophényl)-2,3,3-triméthyl-2-butanol [French] [ACD/IUPAC Name]
1-(3,4-Difluorphenyl)-2,3,3-trimethyl-2-butanol [German] [ACD/IUPAC Name]
Benzeneethanol, α-(1,1-dimethylethyl)-3,4-difluoro-α-methyl- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 278.3±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.6±3.0 kJ/mol
Flash Point: 122.1±23.2 °C
Index of Refraction: 1.485
Molar Refractivity: 60.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 3.56
ACD/BCF (pH 5.5): 299.09
ACD/KOC (pH 5.5): 2059.60
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 299.09
ACD/KOC (pH 7.4): 2059.60
Polar Surface Area: 20 Å2
Polarizability: 24.0±0.5 10-24cm3
Surface Tension: 32.7±3.0 dyne/cm
Molar Volume: 210.8±3.0 cm3

Click to predict properties on the Chemicalize site


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