ChemSpider 2D Image | 2,6-Dimethylheptanoate | C9H17O2

2,6-Dimethylheptanoate

  • Molecular FormulaC9H17O2
  • Average mass157.231 Da
  • Monoisotopic mass157.123398 Da
  • ChemSpider ID76962527

  • Charge - Charge

More details:

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

2,6-Dimethylheptanoat [German] [ACD/IUPAC Name]
2,6-Dimethylheptanoate [ACD/IUPAC Name]
2,6-Diméthylheptanoate [French] [ACD/IUPAC Name]
Heptanoic acid, 2,6-dimethyl-, ion(1-) [ACD/Index Name]
2,6-dimethylheptanoic acid(1-)

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

Density:
Boiling Point: 249.6±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 53.6±6.0 kJ/mol
Flash Point: 114.4±9.8 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.07
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 19.16
ACD/KOC (pH 5.5): 174.35
ACD/LogD (pH 7.4): 0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.82
Polar Surface Area: 40 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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