ChemSpider 2D Image | 3-Methylundecanoate | C12H23O2

3-Methylundecanoate

  • Molecular FormulaC12H23O2
  • Average mass199.310 Da
  • Monoisotopic mass199.170349 Da
  • ChemSpider ID14807699

  • Charge - Charge

More details:

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

3-Methylundecanoat [German] [ACD/IUPAC Name]
3-Methylundecanoate [ACD/IUPAC Name]
3-Méthylundécanoate [French] [ACD/IUPAC Name]
Undecanoic acid, 3-methyl-, ion(1-) [ACD/Index Name]
3-methylundecanoate(1-)
  • Miscellaneous

    • Chemical Class:

      A 3-methyl fatty acid anion that is the conjugate base of 3-methylundecanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:84184

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

Density:
Boiling Point: 306.6±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 60.2±0.0 kJ/mol
Flash Point: 165.7±0.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.84
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 475.32
ACD/KOC (pH 5.5): 1728.40
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 7.67
ACD/KOC (pH 7.4): 27.89
Polar Surface Area: 40 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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