ChemSpider 2D Image | Methyl 4-methoxy-3-[(trifluoromethyl)sulfanyl]benzoate | C10H9F3O3S

Methyl 4-methoxy-3-[(trifluoromethyl)sulfanyl]benzoate

  • Molecular FormulaC10H9F3O3S
  • Average mass266.237 Da
  • Monoisotopic mass266.022461 Da
  • ChemSpider ID28553447

More details:

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

4-Méthoxy-3-[(trifluorométhyl)sulfanyl]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-methoxy-3-[(trifluoromethyl)thio]-, methyl ester [ACD/Index Name]
Methyl 4-methoxy-3-[(trifluoromethyl)sulfanyl]benzoate [ACD/IUPAC Name]
Methyl-4-methoxy-3-[(trifluormethyl)sulfanyl]benzoat [German] [ACD/IUPAC Name]
647855-90-1 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 252.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.0±3.0 kJ/mol
Flash Point: 106.4±27.3 °C
Index of Refraction: 1.500
Molar Refractivity: 57.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 199.29
ACD/KOC (pH 5.5): 1540.18
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 199.29
ACD/KOC (pH 7.4): 1540.18
Polar Surface Area: 61 Å2
Polarizability: 22.7±0.5 10-24cm3
Surface Tension: 37.8±5.0 dyne/cm
Molar Volume: 194.5±5.0 cm3

Click to predict properties on the Chemicalize site


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