ChemSpider 2D Image | Methyl 2-(trifluoromethyl)-1,3-benzodioxole-5-carboxylate | C10H7F3O4

Methyl 2-(trifluoromethyl)-1,3-benzodioxole-5-carboxylate

  • Molecular FormulaC10H7F3O4
  • Average mass248.155 Da
  • Monoisotopic mass248.029648 Da
  • ChemSpider ID28425178

More details:

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

1,3-Benzodioxole-5-carboxylic acid, 2-(trifluoromethyl)-, methyl ester [ACD/Index Name]
2-(Trifluorométhyl)-1,3-benzodioxole-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 2-(trifluoromethyl)-1,3-benzodioxole-5-carboxylate [ACD/IUPAC Name]
Methyl-2-(trifluormethyl)-1,3-benzodioxol-5-carboxylat [German] [ACD/IUPAC Name]
methyl 2-(trifluoromethyl)benzo[d][1,3]dioxole-5-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: 267.2±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.5±3.0 kJ/mol
Flash Point: 111.9±20.8 °C
Index of Refraction: 1.483
Molar Refractivity: 49.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 40.44
ACD/KOC (pH 5.5): 491.76
ACD/LogD (pH 7.4): 2.42
ACD/BCF (pH 7.4): 40.44
ACD/KOC (pH 7.4): 491.76
Polar Surface Area: 45 Å2
Polarizability: 19.4±0.5 10-24cm3
Surface Tension: 35.5±3.0 dyne/cm
Molar Volume: 171.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement