Found 1 result

Search term: CCCCCCCCCCCCCCCC(=O)[C@H](C)C(O)=O (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | (2S)-2-Methyl-3-oxooctadecanoic acid | C19H36O3

(2S)-2-Methyl-3-oxooctadecanoic acid

  • Molecular FormulaC19H36O3
  • Average mass312.487 Da
  • Monoisotopic mass312.266449 Da
  • ChemSpider ID59053373

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Methyl-3-oxooctadecanoic acid [ACD/IUPAC Name]
(2S)-2-Methyl-3-oxooctadecansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-méthyl-3-oxooctadécanoïque [French] [ACD/IUPAC Name]
Octadecanoic acid, 2-methyl-3-oxo-, (2S)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 432.3±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 75.4±6.0 kJ/mol
Flash Point: 229.4±20.5 °C
Index of Refraction: 1.460
Molar Refractivity: 91.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 7.27
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 1244.50
ACD/KOC (pH 5.5): 1613.39
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 34.55
ACD/KOC (pH 7.4): 44.80
Polar Surface Area: 54 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 34.9±3.0 dyne/cm
Molar Volume: 334.3±3.0 cm3

Click to predict properties on the Chemicalize site


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