ChemSpider 2D Image | 2,4,6-Trichlorophenyl 3-isopropoxypropanoate | C12H13Cl3O3

2,4,6-Trichlorophenyl 3-isopropoxypropanoate

  • Molecular FormulaC12H13Cl3O3
  • Average mass311.589 Da
  • Monoisotopic mass309.993042 Da
  • ChemSpider ID33670710

More details:

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

2,4,6-Trichlorophenyl 3-isopropoxypropanoate [ACD/IUPAC Name]
2,4,6-Trichlorphenyl-3-isopropoxypropanoat [German] [ACD/IUPAC Name]
3-Isopropoxypropanoate de 2,4,6-trichlorophényle [French] [ACD/IUPAC Name]
Propanoic acid, 3-(1-methylethoxy)-, 2,4,6-trichlorophenyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 382.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.1±3.0 kJ/mol
Flash Point: 147.9±26.9 °C
Index of Refraction: 1.528
Molar Refractivity: 72.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 4.42
ACD/BCF (pH 5.5): 1341.90
ACD/KOC (pH 5.5): 6031.44
ACD/LogD (pH 7.4): 4.42
ACD/BCF (pH 7.4): 1341.90
ACD/KOC (pH 7.4): 6031.44
Polar Surface Area: 36 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 235.7±3.0 cm3

Click to predict properties on the Chemicalize site


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