ChemSpider 2D Image | 2,2-Dimethyl-4-(2,4,5-trichlorophenoxy)butanoic acid | C12H13Cl3O3

2,2-Dimethyl-4-(2,4,5-trichlorophenoxy)butanoic acid

  • Molecular FormulaC12H13Cl3O3
  • Average mass311.589 Da
  • Monoisotopic mass309.993042 Da
  • ChemSpider ID48687195

More details:

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

2,2-Dimethyl-4-(2,4,5-trichlorophenoxy)butanoic acid [ACD/IUPAC Name]
2,2-Dimethyl-4-(2,4,5-trichlorphenoxy)butansäure [German] [ACD/IUPAC Name]
Acide 2,2-diméthyl-4-(2,4,5-trichlorophénoxy)butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2,2-dimethyl-4-(2,4,5-trichlorophenoxy)- [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: 442.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.8±3.0 kJ/mol
Flash Point: 221.3±28.7 °C
Index of Refraction: 1.551
Molar Refractivity: 72.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.84
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 277.26
ACD/KOC (pH 5.5): 1077.90
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 4.37
ACD/KOC (pH 7.4): 16.98
Polar Surface Area: 47 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 226.5±3.0 cm3

Click to predict properties on the Chemicalize site


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