ChemSpider 2D Image | 4-Fluoro-2-isobutoxybenzoic acid | C11H13FO3

4-Fluoro-2-isobutoxybenzoic acid

  • Molecular FormulaC11H13FO3
  • Average mass212.217 Da
  • Monoisotopic mass212.084869 Da
  • ChemSpider ID35326628

More details:

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

4-Fluor-2-isobutoxybenzoesäure [German] [ACD/IUPAC Name]
4-Fluoro-2-isobutoxybenzoic acid [ACD/IUPAC Name]
Acide 4-fluoro-2-isobutoxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-fluoro-2-(2-methylpropoxy)- [ACD/Index Name]
1443352-57-5 [RN]
2-iso-Butoxy-4-fluorobenzoic acid
4-Fluoro-2-isobutoxy-benzoic acid
atoms 15 bonds 15
MFCD14582791

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

Density: 1.2±0.1 g/cm3
Boiling Point: 304.0±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.5±3.0 kJ/mol
Flash Point: 137.6±22.3 °C
Index of Refraction: 1.508
Molar Refractivity: 53.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.17
ACD/LogD (pH 7.4): -0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 47 Å2
Polarizability: 21.3±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 180.1±3.0 cm3

Click to predict properties on the Chemicalize site


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