ChemSpider 2D Image | 4-{3-(Decyloxy)-2-[(decyloxy)carbonyl]-3-oxo-1-propen-1-yl}benzoic acid | C31H48O6

4-{3-(Decyloxy)-2-[(decyloxy)carbonyl]-3-oxo-1-propen-1-yl}benzoic acid

  • Molecular FormulaC31H48O6
  • Average mass516.709 Da
  • Monoisotopic mass516.345093 Da
  • ChemSpider ID24764374

More details:






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

4-{3-(Decyloxy)-2-[(decyloxy)carbonyl]-3-oxo-1-propen-1-yl}benzoesäure [German] [ACD/IUPAC Name]
4-{3-(Decyloxy)-2-[(decyloxy)carbonyl]-3-oxo-1-propen-1-yl}benzoic acid [ACD/IUPAC Name]
Acide 4-{3-(décyloxy)-2-[(décyloxy)carbonyl]-3-oxo-1-propén-1-yl}benzoïque [French] [ACD/IUPAC Name]
Propanedioic acid, 2-[(4-carboxyphenyl)methylene]-, 1,3-didecyl ester [ACD/Index Name]
4-[2,2-bis(decyloxycarbonyl)vinyl]benzoic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 602.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.2±3.0 kJ/mol
Flash Point: 181.3±22.2 °C
Index of Refraction: 1.515
Molar Refractivity: 149.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 2
ACD/LogP: 11.08
ACD/LogD (pH 5.5): 9.78
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 974958.25
ACD/LogD (pH 7.4): 8.35
ACD/BCF (pH 7.4): 253364.44
ACD/KOC (pH 7.4): 36703.04
Polar Surface Area: 90 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 40.7±3.0 dyne/cm
Molar Volume: 496.3±3.0 cm3

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