ChemSpider 2D Image | 2,5-Bis{[4-(octyloxy)benzoyl]oxy}benzoic acid | C37H46O8

2,5-Bis{[4-(octyloxy)benzoyl]oxy}benzoic acid

  • Molecular FormulaC37H46O8
  • Average mass618.756 Da
  • Monoisotopic mass618.319275 Da
  • ChemSpider ID24764215

More details:

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

2,5-Bis{[4-(octyloxy)benzoyl]oxy}benzoesäure [German] [ACD/IUPAC Name]
2,5-Bis{[4-(octyloxy)benzoyl]oxy}benzoic acid [ACD/IUPAC Name]
Acide 2,5-bis{[4-(octyloxy)benzoyl]oxy}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2,5-bis[[4-(octyloxy)benzoyl]oxy]- [ACD/Index Name]
2,5-bis(4-octyloxyphenylcarbonyloxy)benzoic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 762.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.5±3.0 kJ/mol
Flash Point: 232.4±26.4 °C
Index of Refraction: 1.551
Molar Refractivity: 174.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 2
ACD/LogP: 12.56
ACD/LogD (pH 5.5): 8.66
ACD/BCF (pH 5.5): 510335.41
ACD/KOC (pH 5.5): 73747.66
ACD/LogD (pH 7.4): 8.19
ACD/BCF (pH 7.4): 174191.66
ACD/KOC (pH 7.4): 25172.13
Polar Surface Area: 108 Å2
Polarizability: 69.3±0.5 10-24cm3
Surface Tension: 44.4±3.0 dyne/cm
Molar Volume: 547.9±3.0 cm3

Click to predict properties on the Chemicalize site


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