ChemSpider 2D Image | (9E)-12-(Hexanoyloxy)-9-octadecenoic acid | C24H44O4

(9E)-12-(Hexanoyloxy)-9-octadecenoic acid

  • Molecular FormulaC24H44O4
  • Average mass396.604 Da
  • Monoisotopic mass396.323975 Da
  • ChemSpider ID28590202

  • Double-bond stereo - Double-bond stereo

More details:

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

(9E)-12-(Hexanoyloxy)-9-octadecenoic acid [ACD/IUPAC Name]
(9E)-12-(Hexanoyloxy)-9-octadecensäure [German] [ACD/IUPAC Name]
9-Octadecenoic acid, 12-[(1-oxohexyl)oxy]-, (9E)- [ACD/Index Name]
Acide (9E)-12-(hexanoyloxy)-9-octadécénoïque [French] [ACD/IUPAC Name]
12-(HEXANOYLOXY)OCTADEC-9-ENOIC ACID
189509-24-8 [RN]
9-OCTADECENOIC ACID, 12-[(1-OXOHEXYL)OXY]- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 486.1±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 82.3±6.0 kJ/mol
Flash Point: 149.1±17.5 °C
Index of Refraction: 1.471
Molar Refractivity: 116.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 1
ACD/LogP: 8.63
ACD/LogD (pH 5.5): 7.36
ACD/BCF (pH 5.5): 149371.84
ACD/KOC (pH 5.5): 104348.45
ACD/LogD (pH 7.4): 5.57
ACD/BCF (pH 7.4): 2395.15
ACD/KOC (pH 7.4): 1673.21
Polar Surface Area: 64 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 35.6±3.0 dyne/cm
Molar Volume: 416.8±3.0 cm3

Click to predict properties on the Chemicalize site


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