ChemSpider 2D Image | Ethyl (9Z,12Z)-17-(1,2-dioxo-1,2-dihydro-3-acenaphthylenyl)-9,12-heptadecadienoate | C31H38O4

Ethyl (9Z,12Z)-17-(1,2-dioxo-1,2-dihydro-3-acenaphthylenyl)-9,12-heptadecadienoate

  • Molecular FormulaC31H38O4
  • Average mass474.631 Da
  • Monoisotopic mass474.277008 Da
  • ChemSpider ID109120631
  • Double-bond stereo - Double-bond stereo


More details:






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

(9Z,12Z)-17-(1,2-Dioxo-1,2-dihydro-3-acénaphtylényl)-9,12-heptadécadiénoate d'éthyle [French] [ACD/IUPAC Name]
9,12-Heptadecadienoic acid, 17-(1,2-dihydro-1,2-dioxo-3-acenaphthylenyl)-, ethyl ester, (9Z,12Z)- [ACD/Index Name]
Ethyl (9Z,12Z)-17-(1,2-dioxo-1,2-dihydro-3-acenaphthylenyl)-9,12-heptadecadienoate [ACD/IUPAC Name]
Ethyl-(9Z,12Z)-17-(1,2-dioxo-1,2-dihydro-3-acenaphthylenyl)-9,12-heptadecadienoat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 617.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 259.5±31.5 °C
Index of Refraction: 1.572
Molar Refractivity: 142.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 9.11
ACD/LogD (pH 5.5): 7.97
ACD/BCF (pH 5.5): 670203.50
ACD/KOC (pH 5.5): 515191.75
ACD/LogD (pH 7.4): 7.97
ACD/BCF (pH 7.4): 670203.50
ACD/KOC (pH 7.4): 515191.75
Polar Surface Area: 60 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 432.0±3.0 cm3

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