ChemSpider 2D Image | (9cis)-4,4-Difluororetinoic acid | C20H26F2O2

(9cis)-4,4-Difluororetinoic acid

  • Molecular FormulaC20H26F2O2
  • Average mass336.416 Da
  • Monoisotopic mass336.190094 Da
  • ChemSpider ID64887181

  • Double-bond stereo - Double-bond stereo

More details:

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

(9cis)-4,4-Difluororetinoic acid [ACD/IUPAC Name]
(9cis)-4,4-Difluororétinoïque acide [French] [ACD/IUPAC Name]
Retinoic acid, 4,4-difluoro-, (9cis)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 456.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 78.5±6.0 kJ/mol
Flash Point: 230.0±28.7 °C
Index of Refraction: 1.513
Molar Refractivity: 93.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.75
ACD/LogD (pH 5.5): 4.74
ACD/BCF (pH 5.5): 1469.13
ACD/KOC (pH 5.5): 3715.69
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 23.35
ACD/KOC (pH 7.4): 59.07
Polar Surface Area: 37 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 35.7±5.0 dyne/cm
Molar Volume: 310.0±5.0 cm3

Click to predict properties on the Chemicalize site


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