ChemSpider 2D Image | Perfluorohexadecanoic acid | C16HF31O2

Perfluorohexadecanoic acid

  • Molecular FormulaC16HF31O2
  • Average mass814.128 Da
  • Monoisotopic mass813.948181 Da
  • ChemSpider ID95520

More details:

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

67905-19-5 [RN]
Acide héntriacontafluorohexadécanoïque [French] [ACD/IUPAC Name]
Hentriacontafluorhexadecansäure [German] [ACD/IUPAC Name]
Hentriacontafluorohexadecanoic acid [ACD/IUPAC Name]
Hexadecanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontafluoro- [ACD/Index Name]
Hexadecanoic acid, hentriacontafluoro-
Perfluorohexadecanoic acid
(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-[[(10S,13S,17R)-17-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-2-oxanecarboxylic acid
[67905-19-5] [RN]
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontafluorohexadecanoic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD00153239 [DBID]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 304.5±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 59.9±6.0 kJ/mol
Flash Point: 137.9±26.5 °C
Index of Refraction: 1.288
Molar Refractivity: 82.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 14.86
ACD/LogD (pH 5.5): 7.30
ACD/BCF (pH 5.5): 26667.25
ACD/KOC (pH 5.5): 4477.36
ACD/LogD (pH 7.4): 7.28
ACD/BCF (pH 7.4): 25192.97
ACD/KOC (pH 7.4): 4229.84
Polar Surface Area: 37 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 15.9±3.0 dyne/cm
Molar Volume: 456.9±3.0 cm3

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