ChemSpider 2D Image | (1E,6E)-1-(3,4-Dihydroxyphenyl)-7-(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione | C19H16O5

(1E,6E)-1-(3,4-Dihydroxyphenyl)-7-(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione

  • Molecular FormulaC19H16O5
  • Average mass324.327 Da
  • Monoisotopic mass324.099762 Da
  • ChemSpider ID24660343

  • Double-bond stereo - Double-bond stereo

More details:

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

(1E,6E)-1-(3,4-Dihydroxyphenyl)-7-(4-hydroxyphenyl)-1,6-heptadien-3,5-dion [German] [ACD/IUPAC Name]
(1E,6E)-1-(3,4-Dihydroxyphenyl)-7-(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione [ACD/IUPAC Name]
(1E,6E)-1-(3,4-Dihydroxyphényl)-7-(4-hydroxyphényl)-1,6-heptadiène-3,5-dione [French] [ACD/IUPAC Name]
1,6-Heptadiene-3,5-dione, 1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)-, (1E,6E)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 600.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 330.7±26.6 °C
Index of Refraction: 1.705
Molar Refractivity: 92.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 63.95
ACD/KOC (pH 5.5): 682.23
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 53.12
ACD/KOC (pH 7.4): 566.65
Polar Surface Area: 95 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 67.6±3.0 dyne/cm
Molar Volume: 238.3±3.0 cm3

Click to predict properties on the Chemicalize site


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