ChemSpider 2D Image | 5-(Octyloxy)-2,5-dioxopentanoic acid | C13H22O5

5-(Octyloxy)-2,5-dioxopentanoic acid

  • Molecular FormulaC13H22O5
  • Average mass258.311 Da
  • Monoisotopic mass258.146729 Da
  • ChemSpider ID34450908

More details:

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

1616344-00-3 [RN]
2-oxo-pentanedioic acid, 5-octyl ester
5-(Octyloxy)-2,5-dioxopentanoic acid [ACD/IUPAC Name]
5-(Octyloxy)-2,5-dioxopentansäure [German] [ACD/IUPAC Name]
Acide 5-(octyloxy)-2,5-dioxopentanoïque [French] [ACD/IUPAC Name]
Pentanedioic acid, 2-oxo-, 5-octyl ester [ACD/Index Name]
2-oxo-5-octyl ester-pentanedioic acid
5-octoxy-2,5-dioxopentanoic acid
5-octyl-??-ketoglutarate
5-Octyl-?-ketoglutarate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 368.2±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 67.5±6.0 kJ/mol
Flash Point: 129.9±16.7 °C
Index of Refraction: 1.463
Molar Refractivity: 65.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 2.75
ACD/LogD (pH 5.5): 0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.42
ACD/LogD (pH 7.4): -0.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 81 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 40.4±3.0 dyne/cm
Molar Volume: 238.4±3.0 cm3

Click to predict properties on the Chemicalize site


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