ChemSpider 2D Image | 4-[(4-{4-(Hexadecyloxy)-3-[(hexadecyloxy)carbonyl]-4-oxo-1-buten-1-yl}benzoyl)oxy]benzoic acid | C51H78O8

4-[(4-{4-(Hexadecyloxy)-3-[(hexadecyloxy)carbonyl]-4-oxo-1-buten-1-yl}benzoyl)oxy]benzoic acid

  • Molecular FormulaC51H78O8
  • Average mass819.160 Da
  • Monoisotopic mass818.569641 Da
  • ChemSpider ID35251770

More details:

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

4-[(4-{4-(Hexadecyloxy)-3-[(hexadecyloxy)carbonyl]-4-oxo-1-buten-1-yl}benzoyl)oxy]benzoesäure [German] [ACD/IUPAC Name]
4-[(4-{4-(Hexadecyloxy)-3-[(hexadecyloxy)carbonyl]-4-oxo-1-buten-1-yl}benzoyl)oxy]benzoic acid [ACD/IUPAC Name]
Acide 4-[(4-{4-(hexadécyloxy)-3-[(hexadécyloxy)carbonyl]-4-oxo-1-butén-1-yl}benzoyl)oxy]benzoïque [French] [ACD/IUPAC Name]
Propanedioic acid, 2-[2-[4-[(4-carboxyphenoxy)carbonyl]phenyl]ethenyl]-, 1,3-dihexadecyl ester [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 844.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.7±3.0 kJ/mol
Flash Point: 229.8±27.8 °C
Index of Refraction: 1.520
Molar Refractivity: 241.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 2
ACD/LogP: 19.46
ACD/LogD (pH 5.5): 16.57
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.12
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 116 Å2
Polarizability: 95.8±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 794.9±3.0 cm3

Click to predict properties on the Chemicalize site


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