ChemSpider 2D Image | 2,5,5-Trimethylhexanoate | C9H17O2

2,5,5-Trimethylhexanoate

  • Molecular FormulaC9H17O2
  • Average mass157.231 Da
  • Monoisotopic mass157.123398 Da
  • ChemSpider ID95793506

  • Charge - Charge

More details:

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

2,5,5-Trimethylhexanoat [German] [ACD/IUPAC Name]
2,5,5-Trimethylhexanoate [ACD/IUPAC Name]
2,5,5-Triméthylhexanoate [French] [ACD/IUPAC Name]
Hexanoic acid, 2,5,5-trimethyl-, ion(1-) [ACD/Index Name]

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

Density:
Boiling Point: 243.3±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 52.9±6.0 kJ/mol
Flash Point: 109.4±9.8 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 12.99
ACD/KOC (pH 5.5): 132.88
ACD/LogD (pH 7.4): 0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.15
Polar Surface Area: 40 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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