ChemSpider 2D Image | 4-[5-(3-Methoxyphenyl)-3-oxo-1,4-pentadien-1-yl]benzoic acid | C19H16O4

4-[5-(3-Methoxyphenyl)-3-oxo-1,4-pentadien-1-yl]benzoic acid

  • Molecular FormulaC19H16O4
  • Average mass308.328 Da
  • Monoisotopic mass308.104858 Da
  • ChemSpider ID35457637

More details:






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

4-[5-(3-Methoxyphenyl)-3-oxo-1,4-pentadien-1-yl]benzoesäure [German] [ACD/IUPAC Name]
4-[5-(3-Methoxyphenyl)-3-oxo-1,4-pentadien-1-yl]benzoic acid [ACD/IUPAC Name]
Acide 4-[5-(3-méthoxyphényl)-3-oxo-1,4-pentadién-1-yl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[5-(3-methoxyphenyl)-3-oxo-1,4-pentadien-1-yl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 540.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.1±3.0 kJ/mol
Flash Point: 197.6±23.6 °C
Index of Refraction: 1.652
Molar Refractivity: 91.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.33
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 26.98
ACD/KOC (pH 5.5): 150.12
ACD/LogD (pH 7.4): 1.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.43
Polar Surface Area: 64 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 249.4±3.0 cm3

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