ChemSpider 2D Image | (2S)-2-Methylheptadecanoate | C18H35O2

(2S)-2-Methylheptadecanoate

  • Molecular FormulaC18H35O2
  • Average mass283.470 Da
  • Monoisotopic mass283.264252 Da
  • ChemSpider ID34999412

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Methylheptadecanoat [German] [ACD/IUPAC Name]
(2S)-2-Methylheptadecanoate [ACD/IUPAC Name]
(2S)-2-Méthylheptadécanoate [French] [ACD/IUPAC Name]
Heptadecanoic acid, 2-methyl-, ion(1-), (2S)- [ACD/Index Name]
  • Miscellaneous

    • Chemical Class:

      A 2-methyl fatty acid anion that is the conjugate base of (2S)-2-methyl-heptadecanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:84269

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

Density:
Boiling Point: 400.8±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 71.5±6.0 kJ/mol
Flash Point: 225.6±8.2 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 8.03
ACD/LogD (pH 5.5): 7.11
ACD/BCF (pH 5.5): 97890.88
ACD/KOC (pH 5.5): 78850.05
ACD/LogD (pH 7.4): 5.32
ACD/BCF (pH 7.4): 1584.10
ACD/KOC (pH 7.4): 1275.98
Polar Surface Area: 40 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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