ChemSpider 2D Image | 6-Methyloctanoate | C9H17O2

6-Methyloctanoate

  • Molecular FormulaC9H17O2
  • Average mass157.231 Da
  • Monoisotopic mass157.123398 Da
  • ChemSpider ID57559523

  • Charge - Charge

More details:

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

6-Methyloctanoat [German] [ACD/IUPAC Name]
6-Methyloctanoate [ACD/IUPAC Name]
6-Méthyloctanoate [French] [ACD/IUPAC Name]
Octanoic acid, 6-methyl-, ion(1-) [ACD/Index Name]
2519-37-1 [RN]

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

Density:
Boiling Point: 253.4±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 54.0±6.0 kJ/mol
Flash Point: 129.7±6.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 18.50
ACD/KOC (pH 5.5): 167.04
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.68
Polar Surface Area: 40 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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