ChemSpider 2D Image | Ethyl 5-methoxy-3-(trifluoromethyl)-1-benzothiophene-2-carboxylate | C13H11F3O3S

Ethyl 5-methoxy-3-(trifluoromethyl)-1-benzothiophene-2-carboxylate

  • Molecular FormulaC13H11F3O3S
  • Average mass304.285 Da
  • Monoisotopic mass304.038086 Da
  • ChemSpider ID37566081

More details:

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

5-Méthoxy-3-(trifluorométhyl)-1-benzothiophène-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Benzo[b]thiophene-2-carboxylic acid, 5-methoxy-3-(trifluoromethyl)-, ethyl ester [ACD/Index Name]
Ethyl 5-methoxy-3-(trifluoromethyl)-1-benzothiophene-2-carboxylate [ACD/IUPAC Name]
Ethyl-5-methoxy-3-(trifluormethyl)-1-benzothiophen-2-carboxylat [German] [ACD/IUPAC 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: 380.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.8±3.0 kJ/mol
Flash Point: 183.7±27.9 °C
Index of Refraction: 1.540
Molar Refractivity: 70.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.60
ACD/LogD (pH 5.5): 4.22
ACD/BCF (pH 5.5): 952.52
ACD/KOC (pH 5.5): 4719.32
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 952.52
ACD/KOC (pH 7.4): 4719.32
Polar Surface Area: 64 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 36.5±3.0 dyne/cm
Molar Volume: 224.9±3.0 cm3

Click to predict properties on the Chemicalize site


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