ChemSpider 2D Image | O~15~-Ethyl-14-fluororetinoic acid | C22H31FO2

O15-Ethyl-14-fluororetinoic acid

  • Molecular FormulaC22H31FO2
  • Average mass346.479 Da
  • Monoisotopic mass346.230804 Da
  • ChemSpider ID34241744

  • Double-bond stereo - Double-bond stereo

More details:

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

O15-Ethyl-14-fluororetinoic acid [ACD/IUPAC Name]
O15-Éthyl-14-fluororétinoïque acide [French] [ACD/IUPAC Name]
Retinoic acid, O15-ethyl-14-fluoro- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 448.2±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.7±3.0 kJ/mol
Flash Point: 216.9±16.7 °C
Index of Refraction: 1.522
Molar Refractivity: 105.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.77
ACD/LogD (pH 5.5): 6.73
ACD/BCF (pH 5.5): 77207.77
ACD/KOC (pH 5.5): 109690.20
ACD/LogD (pH 7.4): 6.73
ACD/BCF (pH 7.4): 77207.77
ACD/KOC (pH 7.4): 109690.20
Polar Surface Area: 26 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 34.1±3.0 dyne/cm
Molar Volume: 344.3±3.0 cm3

Click to predict properties on the Chemicalize site


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