ChemSpider 2D Image | (2S)-2-(Methoxycarbonyl)-2-methylhexanoate | C9H15O4

(2S)-2-(Methoxycarbonyl)-2-methylhexanoate

  • Molecular FormulaC9H15O4
  • Average mass187.214 Da
  • Monoisotopic mass187.097580 Da
  • ChemSpider ID57553433

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(Methoxycarbonyl)-2-methylhexanoat [German] [ACD/IUPAC Name]
(2S)-2-(Methoxycarbonyl)-2-methylhexanoate [ACD/IUPAC Name]
(2S)-2-(Méthoxycarbonyl)-2-méthylhexanoate [French] [ACD/IUPAC Name]
Propanedioic acid, 2-butyl-2-methyl-, monomethyl ester, ion(1-), (2S)- [ACD/Index Name]
88253-97-8 [RN]

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

Density:
Boiling Point: 283.8±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 57.5±6.0 kJ/mol
Flash Point: 105.6±16.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.66
ACD/LogD (pH 7.4): -1.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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