ChemSpider 2D Image | 1-O-[(9Z,12Z)-9,12-Octadecadienoyl]hexitol | C24H44O7

1-O-[(9Z,12Z)-9,12-Octadecadienoyl]hexitol

  • Molecular FormulaC24H44O7
  • Average mass444.602 Da
  • Monoisotopic mass444.308716 Da
  • ChemSpider ID29814341

  • Double-bond stereo - Double-bond stereo

More details:

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

1-O-[(9Z,12Z)-9,12-Octadecadienoyl]hexitol [German] [ACD/IUPAC Name]
1-O-[(9Z,12Z)-9,12-Octadecadienoyl]hexitol [ACD/IUPAC Name]
1-O-[(9Z,12Z)-9,12-Octadecadienoyl]hexitol [French] [ACD/IUPAC Name]
Hexitol, 1-O-[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]- [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: 624.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 106.1±6.0 kJ/mol
Flash Point: 201.7±25.0 °C
Index of Refraction: 1.518
Molar Refractivity: 122.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 1
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 270.81
ACD/KOC (pH 5.5): 1918.24
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 270.80
ACD/KOC (pH 7.4): 1918.23
Polar Surface Area: 127 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 404.4±3.0 cm3

Click to predict properties on the Chemicalize site


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