ChemSpider 2D Image | Methyl 1-oxo-5-(trifluoromethyl)-2-indanecarboxylate | C12H9F3O3

Methyl 1-oxo-5-(trifluoromethyl)-2-indanecarboxylate

  • Molecular FormulaC12H9F3O3
  • Average mass258.193 Da
  • Monoisotopic mass258.050385 Da
  • ChemSpider ID94272034

More details:

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

1H-Indene-2-carboxylic acid, 2,3-dihydro-1-oxo-5-(trifluoromethyl)-, methyl ester [ACD/Index Name]
1-Oxo-5-(trifluorométhyl)-2-indanecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 1-oxo-5-(trifluoromethyl)-2-indanecarboxylate [ACD/IUPAC Name]
Methyl-1-oxo-5-(trifluormethyl)-2-indancarboxylat [German] [ACD/IUPAC Name]
2490412-93-4 [RN]
methyl 1-oxo-5-(trifluoromethyl)-2,3-dihydro-1H-indene-2-carboxylate
methyl1-oxo-5-(trifluoromethyl)-2,3-dihydro-1H-indene-2-carboxylate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 302.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.2±3.0 kJ/mol
Flash Point: 132.2±22.8 °C
Index of Refraction: 1.497
Molar Refractivity: 54.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.29
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 62.88
ACD/KOC (pH 5.5): 674.53
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 62.27
ACD/KOC (pH 7.4): 667.96
Polar Surface Area: 43 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 38.4±3.0 dyne/cm
Molar Volume: 186.1±3.0 cm3

Click to predict properties on the Chemicalize site


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