ChemSpider 2D Image | (3S)-Tetrahydro-3-furanyl 3-(difluoromethoxy)benzoate | C12H12F2O4

(3S)-Tetrahydro-3-furanyl 3-(difluoromethoxy)benzoate

  • Molecular FormulaC12H12F2O4
  • Average mass258.218 Da
  • Monoisotopic mass258.070374 Da
  • ChemSpider ID35196110

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-Tetrahydro-3-furanyl 3-(difluoromethoxy)benzoate [ACD/IUPAC Name]
(3S)-Tetrahydro-3-furanyl-3-(difluormethoxy)benzoat [German] [ACD/IUPAC Name]
3-(Difluorométhoxy)benzoate de (3S)-tétrahydro-3-furanyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-(difluoromethoxy)-, (3S)-tetrahydro-3-furanyl ester [ACD/Index Name]
(3S)-OXOLAN-3-YL 3-(DIFLUOROMETHOXY)BENZOATE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 334.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.8±3.0 kJ/mol
Flash Point: 151.1±22.8 °C
Index of Refraction: 1.502
Molar Refractivity: 58.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.04
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 21.36
ACD/KOC (pH 5.5): 311.39
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 21.36
ACD/KOC (pH 7.4): 311.39
Polar Surface Area: 45 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 39.5±5.0 dyne/cm
Molar Volume: 196.8±5.0 cm3

Click to predict properties on the Chemicalize site


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