ChemSpider 2D Image | (8R,9Z,12Z)-8-Hydroxy-6-oxo-9,12-octadecadienoic acid | C18H30O4

(8R,9Z,12Z)-8-Hydroxy-6-oxo-9,12-octadecadienoic acid

  • Molecular FormulaC18H30O4
  • Average mass310.428 Da
  • Monoisotopic mass310.214417 Da
  • ChemSpider ID25059043
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(8R,9Z,12Z)-8-Hydroxy-6-oxo-9,12-octadecadienoic acid [ACD/IUPAC Name]
(8R,9Z,12Z)-8-Hydroxy-6-oxo-9,12-octadecadiensäure [German] [ACD/IUPAC Name]
(8R,9Z,12Z)-8-hydroxy-6-oxooctadeca-9,12-dienoic acid
9,12-Octadecadienoic acid, 8-hydroxy-6-oxo-, (8R,9Z,12Z)- [ACD/Index Name]
Acide (8R,9Z,12Z)-8-hydroxy-6-oxo-9,12-octadécadiénoïque [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 500.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.6±6.0 kJ/mol
Flash Point: 270.6±26.6 °C
Index of Refraction: 1.498
Molar Refractivity: 88.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 24.67
ACD/KOC (pH 5.5): 194.26
ACD/LogD (pH 7.4): 0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.07
Polar Surface Area: 75 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 40.6±3.0 dyne/cm
Molar Volume: 302.5±3.0 cm3

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