ChemSpider 2D Image | 1,1,1-Trichloro-2-propanyl (4-methoxyphenyl)acetate | C12H13Cl3O3

1,1,1-Trichloro-2-propanyl (4-methoxyphenyl)acetate

  • Molecular FormulaC12H13Cl3O3
  • Average mass311.589 Da
  • Monoisotopic mass309.993042 Da
  • ChemSpider ID30421558

More details:

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

(4-Méthoxyphényl)acétate de 1,1,1-trichloro-2-propanyle [French] [ACD/IUPAC Name]
1,1,1-Trichlor-2-propanyl-(4-methoxyphenyl)acetat [German] [ACD/IUPAC Name]
1,1,1-Trichloro-2-propanyl (4-methoxyphenyl)acetate [ACD/IUPAC Name]
Benzeneacetic acid, 4-methoxy-, 2,2,2-trichloro-1-methylethyl 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: 411.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.4±3.0 kJ/mol
Flash Point: 163.0±26.3 °C
Index of Refraction: 1.533
Molar Refractivity: 72.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 4.16
ACD/BCF (pH 5.5): 854.35
ACD/KOC (pH 5.5): 4365.83
ACD/LogD (pH 7.4): 4.16
ACD/BCF (pH 7.4): 854.35
ACD/KOC (pH 7.4): 4365.83
Polar Surface Area: 36 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 233.8±3.0 cm3

Click to predict properties on the Chemicalize site


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