ChemSpider 2D Image | 2-[4,4''-Bis(trifluoromethyl)-1,1':2',1''-terphenyl-4'-yl]-4-methylpentanoic acid | C26H22F6O2

2-[4,4''-Bis(trifluoromethyl)-1,1':2',1''-terphenyl-4'-yl]-4-methylpentanoic acid

  • Molecular FormulaC26H22F6O2
  • Average mass480.442 Da
  • Monoisotopic mass480.152405 Da
  • ChemSpider ID112711508

More details:

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

[1,1':2',1''-Terphenyl]-4'-acetic acid, α-(2-methylpropyl)-4,4''-bis(trifluoromethyl)- [ACD/Index Name]
2-[4,4''-Bis(trifluormethyl)-1,1':2',1''-terphenyl-4'-yl]-4-methylpentansäure [German] [ACD/IUPAC Name]
2-[4,4''-Bis(trifluoromethyl)-1,1':2',1''-terphenyl-4'-yl]-4-methylpentanoic acid [ACD/IUPAC Name]
Acide 2-[4,4''-bis(trifluorométhyl)-1,1':2',1''-terphényl-4'-yl]-4-méthylpentanoïque [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 482.9±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: 245.9±28.7 °C
Index of Refraction: 1.515
Molar Refractivity: 115.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 8.26
ACD/LogD (pH 5.5): 6.08
ACD/BCF (pH 5.5): 11714.45
ACD/KOC (pH 5.5): 11875.89
ACD/LogD (pH 7.4): 4.31
ACD/BCF (pH 7.4): 198.93
ACD/KOC (pH 7.4): 201.67
Polar Surface Area: 37 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 34.1±3.0 dyne/cm
Molar Volume: 381.6±3.0 cm3

Click to predict properties on the Chemicalize site


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