ChemSpider 2D Image | 3-Butoxy-5-fluorobenzoic acid | C11H13FO3

3-Butoxy-5-fluorobenzoic acid

  • Molecular FormulaC11H13FO3
  • Average mass212.217 Da
  • Monoisotopic mass212.084869 Da
  • ChemSpider ID35325610

More details:

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

3-Butoxy-5-fluorbenzoesäure [German] [ACD/IUPAC Name]
3-Butoxy-5-fluorobenzoic acid [ACD/IUPAC Name]
Acide 3-butoxy-5-fluorobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-butoxy-5-fluoro- [ACD/Index Name]
1443311-12-3 [RN]
3-n-Butoxy-5-fluorobenzoic acid
atoms 15 bonds 15
MFCD18426789

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

Density: 1.2±0.1 g/cm3
Boiling Point: 319.7±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 59.3±3.0 kJ/mol
Flash Point: 147.1±22.3 °C
Index of Refraction: 1.510
Molar Refractivity: 53.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 2.10
ACD/KOC (pH 5.5): 18.57
ACD/LogD (pH 7.4): 0.02
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: 40.2±3.0 dyne/cm
Molar Volume: 179.7±3.0 cm3

Click to predict properties on the Chemicalize site


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