ChemSpider 2D Image | 5-Ethyl-6-oxoheptanoic acid | C9H16O3

5-Ethyl-6-oxoheptanoic acid

  • Molecular FormulaC9H16O3
  • Average mass172.221 Da
  • Monoisotopic mass172.109940 Da
  • ChemSpider ID110419429

More details:

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

5-Ethyl-6-oxoheptanoic acid [ACD/IUPAC Name]
5-Ethyl-6-oxoheptansäure [German] [ACD/IUPAC Name]
Acide 5-éthyl-6-oxoheptanoïque [French] [ACD/IUPAC Name]
Heptanoic acid, 5-ethyl-6-oxo- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 316.2±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 61.3±6.0 kJ/mol
Flash Point: 159.3±19.7 °C
Index of Refraction: 1.448
Molar Refractivity: 45.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.05
ACD/LogD (pH 5.5): 0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.00
ACD/LogD (pH 7.4): -1.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 54 Å2
Polarizability: 18.0±0.5 10-24cm3
Surface Tension: 36.0±3.0 dyne/cm
Molar Volume: 169.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement