ChemSpider 2D Image | 3,5,5-Trimethyl-1-hexanol | C9H20O

3,5,5-Trimethyl-1-hexanol

  • Molecular FormulaC9H20O
  • Average mass144.255 Da
  • Monoisotopic mass144.151413 Da
  • ChemSpider ID21428736

More details:

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

1-Hexanol, 3,5,5-trimethyl- [ACD/Index Name]
3,5,5-Trimethyl-1-hexanol [ACD/IUPAC Name]
3,5,5-Trimethyl-1-hexanol [German] [ACD/IUPAC Name]
3,5,5-Triméthyl-1-hexanol [French] [ACD/IUPAC Name]
222-376-7 [EINECS]
3452-97-9 [RN]
UNII-O5KUD6I57K

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

Density: 0.8±0.1 g/cm3
Boiling Point: 194.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.8 mmHg at 25°C
Enthalpy of Vaporization: 50.1±6.0 kJ/mol
Flash Point: 80.0±0.0 °C
Index of Refraction: 1.430
Molar Refractivity: 45.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 59.60
ACD/KOC (pH 5.5): 649.17
ACD/LogD (pH 7.4): 2.64
ACD/BCF (pH 7.4): 59.60
ACD/KOC (pH 7.4): 649.17
Polar Surface Area: 20 Å2
Polarizability: 17.9±0.5 10-24cm3
Surface Tension: 27.1±3.0 dyne/cm
Molar Volume: 175.0±3.0 cm3

Click to predict properties on the Chemicalize site


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