ChemSpider 2D Image | 2,3-Dichloro-4-(1,1,1-trifluoro-2-hydroxy-3-methyl-2-butanyl)benzonitrile | C12H10Cl2F3NO

2,3-Dichloro-4-(1,1,1-trifluoro-2-hydroxy-3-methyl-2-butanyl)benzonitrile

  • Molecular FormulaC12H10Cl2F3NO
  • Average mass312.115 Da
  • Monoisotopic mass311.009155 Da
  • ChemSpider ID58928846

More details:

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

2,3-Dichlor-4-(1,1,1-trifluor-2-hydroxy-3-methyl-2-butanyl)benzonitril [German] [ACD/IUPAC Name]
2,3-Dichloro-4-(1,1,1-trifluoro-2-hydroxy-3-methyl-2-butanyl)benzonitrile [ACD/IUPAC Name]
2,3-Dichloro-4-(1,1,1-trifluoro-2-hydroxy-3-méthyl-2-butanyl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2,3-dichloro-4-[1-hydroxy-2-methyl-1-(trifluoromethyl)propyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 375.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.8±3.0 kJ/mol
Flash Point: 181.1±27.9 °C
Index of Refraction: 1.516
Molar Refractivity: 66.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 288.82
ACD/KOC (pH 5.5): 2008.71
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 288.53
ACD/KOC (pH 7.4): 2006.73
Polar Surface Area: 44 Å2
Polarizability: 26.2±0.5 10-24cm3
Surface Tension: 43.5±5.0 dyne/cm
Molar Volume: 218.4±5.0 cm3

Click to predict properties on the Chemicalize site


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