ChemSpider 2D Image | 3-Pentanyl 3-hydroxy-2-methylpentanoate | C11H22O3

3-Pentanyl 3-hydroxy-2-methylpentanoate

  • Molecular FormulaC11H22O3
  • Average mass202.291 Da
  • Monoisotopic mass202.156891 Da
  • ChemSpider ID25084810

More details:

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

3-Hydroxy-2-méthylpentanoate de 3-pentanyle [French] [ACD/IUPAC Name]
3-Pentanyl 3-hydroxy-2-methylpentanoate [ACD/IUPAC Name]
3-Pentanyl-3-hydroxy-2-methylpentanoat [German] [ACD/IUPAC Name]
Pentanoic acid, 3-hydroxy-2-methyl-, 1-ethylpropyl ester [ACD/Index Name]
1-ethylpropyl 3-hydroxy-2-methylpentanoate
211621-52-2 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 283.4±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 60.6±6.0 kJ/mol
Flash Point: 108.6±12.6 °C
Index of Refraction: 1.442
Molar Refractivity: 56.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.27
ACD/LogD (pH 5.5): 2.25
ACD/BCF (pH 5.5): 30.40
ACD/KOC (pH 5.5): 400.91
ACD/LogD (pH 7.4): 2.25
ACD/BCF (pH 7.4): 30.40
ACD/KOC (pH 7.4): 400.91
Polar Surface Area: 47 Å2
Polarizability: 22.3±0.5 10-24cm3
Surface Tension: 31.7±3.0 dyne/cm
Molar Volume: 212.2±3.0 cm3

Click to predict properties on the Chemicalize site


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