ChemSpider 2D Image | 4-Hydroxy-5-(octyloxy)-5-oxopentanoic acid | C13H24O5

4-Hydroxy-5-(octyloxy)-5-oxopentanoic acid

  • Molecular FormulaC13H24O5
  • Average mass260.327 Da
  • Monoisotopic mass260.162384 Da
  • ChemSpider ID35099491

More details:

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

2097068-39-6 [RN]
4-Hydroxy-5-(octyloxy)-5-oxopentanoic acid [ACD/IUPAC Name]
4-Hydroxy-5-(octyloxy)-5-oxopentansäure [German] [ACD/IUPAC Name]
Acide 4-hydroxy-5-(octyloxy)-5-oxopentanoïque [French] [ACD/IUPAC Name]
Pentanedioic acid, 2-hydroxy-, 1-octyl ester [ACD/Index Name]
(2r)-octyl-α-hydroxyglutarate
1391194-67-4 [RN]
4-hydroxy-5-(octyloxy)-5-oxopentanoicacid
Octyl-?-hydroxyglutarate
Octyl-α-hydroxyglutarate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 420.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.9±6.0 kJ/mol
Flash Point: 152.3±19.4 °C
Index of Refraction: 1.473
Molar Refractivity: 67.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 8.50
ACD/KOC (pH 5.5): 77.93
ACD/LogD (pH 7.4): 0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.24
Polar Surface Area: 84 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 239.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement