ChemSpider 2D Image | 3-(1,1,2,2,3,3,15,15,15-Nonafluoropentadecyl)-1,2-benzenediol | C21H27F9O2

3-(1,1,2,2,3,3,15,15,15-Nonafluoropentadecyl)-1,2-benzenediol

  • Molecular FormulaC21H27F9O2
  • Average mass482.423 Da
  • Monoisotopic mass482.186737 Da
  • ChemSpider ID26556147

More details:






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

1,2-Benzenediol, 3-(1,1,2,2,3,3,15,15,15-nonafluoropentadecyl)- [ACD/Index Name]
3-(1,1,2,2,3,3,15,15,15-Nonafluoropentadecyl)-1,2-benzenediol [ACD/IUPAC Name]
3-(1,1,2,2,3,3,15,15,15-Nonafluoropentadécyl)-1,2-benzènediol [French] [ACD/IUPAC Name]
3-(1,1,2,2,3,3,15,15,15-Nonafluorpentadecyl)-1,2-benzoldiol [German] [ACD/IUPAC Name]
1,2-Benzenediol,3-(12,12,13,13,14,14,15,15,15-nonafluoropentadecyl)-
131545-71-6 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 434.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.8±3.0 kJ/mol
Flash Point: 216.8±28.7 °C
Index of Refraction: 1.438
Molar Refractivity: 100.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 7.51
ACD/LogD (pH 5.5): 7.05
ACD/BCF (pH 5.5): 135376.77
ACD/KOC (pH 5.5): 163849.50
ACD/LogD (pH 7.4): 6.98
ACD/BCF (pH 7.4): 114238.30
ACD/KOC (pH 7.4): 138265.16
Polar Surface Area: 40 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 29.4±3.0 dyne/cm
Molar Volume: 383.7±3.0 cm3

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