ChemSpider 2D Image | 6-{[4-(Hexyloxy)benzoyl]oxy}-2,4-hexadiyn-1-yl pentafluorobenzoate | C26H21F5O5

6-{[4-(Hexyloxy)benzoyl]oxy}-2,4-hexadiyn-1-yl pentafluorobenzoate

  • Molecular FormulaC26H21F5O5
  • Average mass508.434 Da
  • Monoisotopic mass508.130920 Da
  • ChemSpider ID30660331

More details:

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

6-{[4-(Hexyloxy)benzoyl]oxy}-2,4-hexadiin-1-yl-pentafluorbenzoat [German] [ACD/IUPAC Name]
6-{[4-(Hexyloxy)benzoyl]oxy}-2,4-hexadiyn-1-yl pentafluorobenzoate [ACD/IUPAC Name]
Benzoic acid, 2,3,4,5,6-pentafluoro-, 6-[[4-(hexyloxy)benzoyl]oxy]-2,4-hexadiyn-1-yl ester [ACD/Index Name]
Pentafluorobenzoate de 6-{[4-(hexyloxy)benzoyl]oxy}-2,4-hexadiyn-1-yle [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: 597.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 303.1±25.0 °C
Index of Refraction: 1.525
Molar Refractivity: 118.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 9.23
ACD/LogD (pH 5.5): 7.93
ACD/BCF (pH 5.5): 620919.13
ACD/KOC (pH 5.5): 487780.91
ACD/LogD (pH 7.4): 7.93
ACD/BCF (pH 7.4): 620919.13
ACD/KOC (pH 7.4): 487780.91
Polar Surface Area: 62 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 386.3±3.0 cm3

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