ChemSpider 2D Image | parinaric acid | C18H28O2

parinaric acid

  • Molecular FormulaC18H28O2
  • Average mass276.414 Da
  • Monoisotopic mass276.208923 Da
  • ChemSpider ID58163698

  • Double-bond stereo - Double-bond stereo

More details:

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

(9E,11E,13E,15E)-9,11,13,15-Octadecatetraenoic acid [ACD/IUPAC Name]
(9E,11E,13E,15E)-9,11,13,15-Octadecatetraensäure [German] [ACD/IUPAC Name]
9,11,13,15-Octadecatetraenoic acid, (9E,11E,13E,15E)- [ACD/Index Name]
Acide (9E,11E,13E,15E)-9,11,13,15-octadécatétraénoïque [French] [ACD/IUPAC Name]
parinaric acid
18:4 (n-3)
18427-44-6 [RN]
9,11,13,15-Octadecatetraenoic acid [ACD/Index Name] [ACD/IUPAC Name]
C18:4 (n-3)
octadeca-9,11,13,15-tetraenoic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 400.2±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 71.4±6.0 kJ/mol
Flash Point: 297.0±15.2 °C
Index of Refraction: 1.504
Molar Refractivity: 87.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 6.14
ACD/LogD (pH 5.5): 4.98
ACD/BCF (pH 5.5): 2301.18
ACD/KOC (pH 5.5): 5261.57
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 36.90
ACD/KOC (pH 7.4): 84.36
Polar Surface Area: 37 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 35.4±3.0 dyne/cm
Molar Volume: 294.7±3.0 cm3

Click to predict properties on the Chemicalize site


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