ChemSpider 2D Image | 5-(3-Fluoropropyl)-2-hydroxy-3-methoxybenzoic acid | C11H13FO4

5-(3-Fluoropropyl)-2-hydroxy-3-methoxybenzoic acid

  • Molecular FormulaC11H13FO4
  • Average mass228.217 Da
  • Monoisotopic mass228.079788 Da
  • ChemSpider ID28559620

More details:

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

5-(3-Fluoropropyl)-2-hydroxy-3-methoxybenzoic acid [ACD/IUPAC Name]
5-(3-Fluorpropyl)-2-hydroxy-3-methoxybenzoesäure [German] [ACD/IUPAC Name]
Acide 5-(3-fluoropropyl)-2-hydroxy-3-méthoxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 5-(3-fluoropropyl)-2-hydroxy-3-methoxy- [ACD/Index Name]
669089-90-1 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 380.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.3±3.0 kJ/mol
Flash Point: 183.7±27.9 °C
Index of Refraction: 1.539
Molar Refractivity: 56.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.89
ACD/LogD (pH 5.5): -0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.01
ACD/LogD (pH 7.4): -0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 67 Å2
Polarizability: 22.2±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 179.2±3.0 cm3

Click to predict properties on the Chemicalize site


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