ChemSpider 2D Image | 3-[(4-{[4-(Octyloxy)benzoyl]oxy}benzoyl)oxy]benzoic acid | C29H30O7

3-[(4-{[4-(Octyloxy)benzoyl]oxy}benzoyl)oxy]benzoic acid

  • Molecular FormulaC29H30O7
  • Average mass490.544 Da
  • Monoisotopic mass490.199158 Da
  • ChemSpider ID24764317

More details:

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

3-[(4-{[4-(Octyloxy)benzoyl]oxy}benzoyl)oxy]benzoesäure [German] [ACD/IUPAC Name]
3-[(4-{[4-(Octyloxy)benzoyl]oxy}benzoyl)oxy]benzoic acid [ACD/IUPAC Name]
Acide 3-[(4-{[4-(octyloxy)benzoyl]oxy}benzoyl)oxy]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[4-(octyloxy)benzoyl]oxy]-, 3-carboxyphenyl ester [ACD/Index Name]
3-[4-(4-octyloxyphenylcarbonyloxy)phenylcarbonyloxy]benzoic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 670.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.5±3.0 kJ/mol
Flash Point: 219.3±23.6 °C
Index of Refraction: 1.578
Molar Refractivity: 135.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 9.02
ACD/LogD (pH 5.5): 6.75
ACD/BCF (pH 5.5): 31673.30
ACD/KOC (pH 5.5): 19484.06
ACD/LogD (pH 7.4): 5.41
ACD/BCF (pH 7.4): 1433.02
ACD/KOC (pH 7.4): 881.53
Polar Surface Area: 99 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 408.3±3.0 cm3

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