ChemSpider 2D Image | 2-Oxo-2H-chromen-7-yl (6E,9E,12E)-6,9,12-octadecatrienoate | C27H34O4

2-Oxo-2H-chromen-7-yl (6E,9E,12E)-6,9,12-octadecatrienoate

  • Molecular FormulaC27H34O4
  • Average mass422.556 Da
  • Monoisotopic mass422.245697 Da
  • ChemSpider ID28468820

  • Double-bond stereo - Double-bond stereo

More details:

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

(6E,9E,12E)-6,9,12-Octadécatriénoate de 2-oxo-2H-chromén-7-yle [French] [ACD/IUPAC Name]
2-Oxo-2H-chromen-7-yl (6E,9E,12E)-6,9,12-octadecatrienoate [ACD/IUPAC Name]
2-Oxo-2H-chromen-7-yl-(6E,9E,12E)-6,9,12-octadecatrienoat [German] [ACD/IUPAC Name]
6,9,12-Octadecatrienoic acid, 2-oxo-2H-1-benzopyran-7-yl ester, (6E,9E,12E)- [ACD/Index Name]
161180-12-7 [RN]
2-OXOCHROMEN-7-YL OCTADECA-6,9,12-TRIENOATE
7-HC-?-linolenate
7-hc-γ-linolenate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 563.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.7±3.0 kJ/mol
Flash Point: 279.3±28.5 °C
Index of Refraction: 1.540
Molar Refractivity: 125.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 7.58
ACD/LogD (pH 5.5): 7.18
ACD/BCF (pH 5.5): 168618.36
ACD/KOC (pH 5.5): 191864.77
ACD/LogD (pH 7.4): 7.18
ACD/BCF (pH 7.4): 168618.36
ACD/KOC (pH 7.4): 191864.77
Polar Surface Area: 53 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 399.7±3.0 cm3

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