ChemSpider 2D Image | 6-Hydroxy-3,7-dimethyloctanoate | C10H19O3

6-Hydroxy-3,7-dimethyloctanoate

  • Molecular FormulaC10H19O3
  • Average mass187.257 Da
  • Monoisotopic mass187.133972 Da
  • ChemSpider ID27471411

  • Charge - Charge

More details:

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

6-Hydroxy-3,7-dimethyloctanoat [German] [ACD/IUPAC Name]
6-Hydroxy-3,7-dimethyloctanoate [ACD/IUPAC Name]
6-Hydroxy-3,7-diméthyloctanoate [French] [ACD/IUPAC Name]
Octanoic acid, 6-hydroxy-3,7-dimethyl-, ion(1-) [ACD/Index Name]

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

CHEBI:64223 [DBID]
  • Miscellaneous

    • Chemical Class:

      A hydroxy fatty acid anion that is the conjugate base of 6-hydroxy-3,7-dimethyloctanoic acid, arising from deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:64223

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

Density:
Boiling Point: 307.7±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 63.6±6.0 kJ/mol
Flash Point: 154.1±19.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.41
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 3.02
ACD/KOC (pH 5.5): 45.22
ACD/LogD (pH 7.4): -0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 60 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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