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Search term: KGYQXMLYIWZACL-RCCKNPSSSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2E)-2-(2,5-Bis{[4-(trifluoromethyl)benzyl]oxy}benzylidene)hexanoic acid | C29H26F6O4

(2E)-2-(2,5-Bis{[4-(trifluoromethyl)benzyl]oxy}benzylidene)hexanoic acid

  • Molecular FormulaC29H26F6O4
  • Average mass552.505 Da
  • Monoisotopic mass552.173523 Da
  • ChemSpider ID26609569

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-(2,5-Bis{[4-(trifluormethyl)benzyl]oxy}benzyliden)hexansäure [German] [ACD/IUPAC Name]
(2E)-2-(2,5-Bis{[4-(trifluoromethyl)benzyl]oxy}benzylidene)hexanoic acid [ACD/IUPAC Name]
Acide (2E)-2-(2,5-bis{[4-(trifluorométhyl)benzyl]oxy}benzylidène)hexanoïque [French] [ACD/IUPAC Name]
Hexanoic acid, 2-[[2,5-bis[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methylene]-, (2E)- [ACD/Index 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: 602.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.3±3.0 kJ/mol
Flash Point: 318.4±30.1 °C
Index of Refraction: 1.541
Molar Refractivity: 134.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 9.04
ACD/LogD (pH 5.5): 6.96
ACD/BCF (pH 5.5): 73659.13
ACD/KOC (pH 5.5): 62499.97
ACD/LogD (pH 7.4): 5.17
ACD/BCF (pH 7.4): 1178.37
ACD/KOC (pH 7.4): 999.85
Polar Surface Area: 56 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 37.8±3.0 dyne/cm
Molar Volume: 427.3±3.0 cm3

Click to predict properties on the Chemicalize site


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