ChemSpider 2D Image | 3-Fluoro-5-isopropylbenzoic acid | C10H11FO2

3-Fluoro-5-isopropylbenzoic acid

  • Molecular FormulaC10H11FO2
  • Average mass182.191 Da
  • Monoisotopic mass182.074310 Da
  • ChemSpider ID37548955

More details:

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

3-Fluor-5-isopropylbenzoesäure [German] [ACD/IUPAC Name]
3-Fluoro-5-isopropylbenzoic acid [ACD/IUPAC Name]
Acide 3-fluoro-5-isopropylbenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-fluoro-5-(1-methylethyl)- [ACD/Index Name]
3-Fluoro-5-(propan-2-yl)benzoic acid
942508-01-2 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 270.8±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.8±3.0 kJ/mol
Flash Point: 117.6±24.0 °C
Index of Refraction: 1.518
Molar Refractivity: 47.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 2.88
ACD/KOC (pH 5.5): 26.10
ACD/LogD (pH 7.4): 0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.06
Polar Surface Area: 37 Å2
Polarizability: 18.8±0.5 10-24cm3
Surface Tension: 39.4±3.0 dyne/cm
Molar Volume: 156.2±3.0 cm3

Click to predict properties on the Chemicalize site


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