ChemSpider 2D Image | 4-[(4-{(1E)-4-(Decyloxy)-3-[(decyloxy)carbonyl]-4-oxo-1-buten-1-yl}benzoyl)oxy]benzoic acid | C39H54O8

4-[(4-{(1E)-4-(Decyloxy)-3-[(decyloxy)carbonyl]-4-oxo-1-buten-1-yl}benzoyl)oxy]benzoic acid

  • Molecular FormulaC39H54O8
  • Average mass650.841 Da
  • Monoisotopic mass650.381897 Da
  • ChemSpider ID24764440

  • Double-bond stereo - Double-bond stereo

More details:

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

4-[(4-{(1E)-4-(Decyloxy)-3-[(decyloxy)carbonyl]-4-oxo-1-buten-1-yl}benzoyl)oxy]benzoesäure [German] [ACD/IUPAC Name]
4-[(4-{(1E)-4-(Decyloxy)-3-[(decyloxy)carbonyl]-4-oxo-1-buten-1-yl}benzoyl)oxy]benzoic acid [ACD/IUPAC Name]
Acide 4-[(4-{(1E)-4-(décyloxy)-3-[(décyloxy)carbonyl]-4-oxo-1-butén-1-yl}benzoyl)oxy]benzoïque [French] [ACD/IUPAC Name]
Propanedioic acid, 2-[(E)-2-[4-[(4-carboxyphenoxy)carbonyl]phenyl]ethenyl]-, 1,3-didecyl ester [ACD/Index Name]
4-{4-[(1E)-3,3-bis(decyloxycarbonyl)prop-1-enyl]phenylcarbonyloxy}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: 745.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.0±3.0 kJ/mol
Flash Point: 219.2±26.4 °C
Index of Refraction: 1.536
Molar Refractivity: 186.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 28
#Rule of 5 Violations: 2
ACD/LogP: 13.08
ACD/LogD (pH 5.5): 11.41
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 7777594.50
ACD/LogD (pH 7.4): 9.98
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 282927.03
Polar Surface Area: 116 Å2
Polarizability: 73.8±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 596.8±3.0 cm3

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