ChemSpider 2D Image | 5-(3-Chloro-2-fluoro-4-hydroxyphenyl)-2-hydroxy-4-pentynoic acid | C11H8ClFO4

5-(3-Chloro-2-fluoro-4-hydroxyphenyl)-2-hydroxy-4-pentynoic acid

  • Molecular FormulaC11H8ClFO4
  • Average mass258.630 Da
  • Monoisotopic mass258.009521 Da
  • ChemSpider ID95850064

More details:

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

4-Pentynoic acid, 5-(3-chloro-2-fluoro-4-hydroxyphenyl)-2-hydroxy- [ACD/Index Name]
5-(3-Chlor-2-fluor-4-hydroxyphenyl)-2-hydroxy-4-pentinsäure [German] [ACD/IUPAC Name]
5-(3-Chloro-2-fluoro-4-hydroxyphenyl)-2-hydroxy-4-pentynoic acid [ACD/IUPAC Name]
Acide 5-(3-chloro-2-fluoro-4-hydroxyphényl)-2-hydroxy-4-pentynoïque [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 483.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.8±3.0 kJ/mol
Flash Point: 246.2±28.7 °C
Index of Refraction: 1.633
Molar Refractivity: 57.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.01
ACD/LogD (pH 7.4): -1.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 78 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 77.4±5.0 dyne/cm
Molar Volume: 161.2±5.0 cm3

Click to predict properties on the Chemicalize site


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