ChemSpider 2D Image | 3-Hydroxy-3-methylhexanoate | C7H13O3

3-Hydroxy-3-methylhexanoate

  • Molecular FormulaC7H13O3
  • Average mass145.177 Da
  • Monoisotopic mass145.087021 Da
  • ChemSpider ID76962528

  • Charge - Charge

More details:

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

3-Hydroxy-3-methylhexanoat [German] [ACD/IUPAC Name]
3-Hydroxy-3-methylhexanoate [ACD/IUPAC Name]
3-Hydroxy-3-méthylhexanoate [French] [ACD/IUPAC Name]
Hexanoic acid, 3-hydroxy-3-methyl-, ion(1-) [ACD/Index Name]
3-hydroxy-3-methylhexanoic acid(1-)

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

Density:
Boiling Point: 265.4±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 58.4±6.0 kJ/mol
Flash Point: 128.5±19.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.27
ACD/LogD (pH 5.5): -0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.99
ACD/LogD (pH 7.4): -2.42
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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