ChemSpider 2D Image | Ethyl 4-(trifluoromethyl)-1-benzofuran-2-carboxylate | C12H9F3O3

Ethyl 4-(trifluoromethyl)-1-benzofuran-2-carboxylate

  • Molecular FormulaC12H9F3O3
  • Average mass258.193 Da
  • Monoisotopic mass258.050385 Da
  • ChemSpider ID28421264

More details:

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

2-Benzofurancarboxylic acid, 4-(trifluoromethyl)-, ethyl ester [ACD/Index Name]
4-(Trifluorométhyl)-1-benzofurane-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-(trifluoromethyl)-1-benzofuran-2-carboxylate [ACD/IUPAC Name]
Ethyl-4-(trifluormethyl)-1-benzofuran-2-carboxylat [German] [ACD/IUPAC Name]
1286744-03-3 [RN]
4-?(trifluoromethyl)?-?2-?Benzofurancarboxylic acid, ethyl ester
4-Trifluoromethyl-benzofuran-2-carboxylic acid ethyl ester
Ethyl 4-(trifluoromethyl)benzofuran-2-carboxylate
MFCD23381993 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 286.1±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.5±3.0 kJ/mol
Flash Point: 126.8±25.9 °C
Index of Refraction: 1.507
Molar Refractivity: 57.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 271.66
ACD/KOC (pH 5.5): 1922.58
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 271.66
ACD/KOC (pH 7.4): 1922.58
Polar Surface Area: 39 Å2
Polarizability: 22.9±0.5 10-24cm3
Surface Tension: 33.4±3.0 dyne/cm
Molar Volume: 194.3±3.0 cm3

Click to predict properties on the Chemicalize site


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