ChemSpider 2D Image | 2-Methyl-2-propanyl 5-chloro-2,2-dihydroxy-3-oxopentanoate | C9H15ClO5

2-Methyl-2-propanyl 5-chloro-2,2-dihydroxy-3-oxopentanoate

  • Molecular FormulaC9H15ClO5
  • Average mass238.665 Da
  • Monoisotopic mass238.060806 Da
  • ChemSpider ID62768055

More details:

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

2-Methyl-2-propanyl 5-chloro-2,2-dihydroxy-3-oxopentanoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-5-chlor-2,2-dihydroxy-3-oxopentanoat [German] [ACD/IUPAC Name]
5-Chloro-2,2-dihydroxy-3-oxopentanoate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Pentanoic acid, 5-chloro-2,2-dihydroxy-3-oxo-, 1,1-dimethylethyl ester [ACD/Index Name]
1452758-80-3 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 326.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 65.9±6.0 kJ/mol
Flash Point: 151.4±27.9 °C
Index of Refraction: 1.492
Molar Refractivity: 53.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 16.41
ACD/KOC (pH 5.5): 257.73
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 13.89
ACD/KOC (pH 7.4): 218.07
Polar Surface Area: 84 Å2
Polarizability: 21.2±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 184.2±3.0 cm3

Click to predict properties on the Chemicalize site


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