ChemSpider 2D Image | 3-(4-Hydroxyphenyl)-4-oxo-4H-chromen-7-yl (9E)-9-octadecenoate | C33H42O5

3-(4-Hydroxyphenyl)-4-oxo-4H-chromen-7-yl (9E)-9-octadecenoate

  • Molecular FormulaC33H42O5
  • Average mass518.684 Da
  • Monoisotopic mass518.303223 Da
  • ChemSpider ID8753218

  • Double-bond stereo - Double-bond stereo

More details:

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

(9E)-9-Octadécénoate de 3-(4-hydroxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
3-(4-Hydroxyphenyl)-4-oxo-4H-chromen-7-yl (9E)-9-octadecenoate [ACD/IUPAC Name]
3-(4-Hydroxyphenyl)-4-oxo-4H-chromen-7-yl-(9E)-9-octadecenoat [German] [ACD/IUPAC Name]
9-Octadecenoic acid, 3-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl ester, (9E)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 663.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 207.2±25.0 °C
Index of Refraction: 1.554
Molar Refractivity: 151.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 10.66
ACD/LogD (pH 5.5): 9.64
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4168029.00
ACD/LogD (pH 7.4): 9.64
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4141889.00
Polar Surface Area: 73 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 473.1±3.0 cm3

Click to predict properties on the Chemicalize site


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