ChemSpider 2D Image | 3,3,5-Trimethylcyclohexyl hydroxy(phenyl)acetate | C17H24O3

3,3,5-Trimethylcyclohexyl hydroxy(phenyl)acetate

  • Molecular FormulaC17H24O3
  • Average mass276.371 Da
  • Monoisotopic mass276.172546 Da
  • ChemSpider ID21208858

More details:

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

3,3,5-Trimethylcyclohexyl hydroxy(phenyl)acetate [ACD/IUPAC Name]
3,3,5-Trimethylcyclohexyl-hydroxy(phenyl)acetat [German] [ACD/IUPAC Name]
Benzeneacetic acid, α-hydroxy-, 3,3,5-trimethylcyclohexyl ester [ACD/Index Name]
Hydroxy(phényl)acétate de 3,3,5-triméthylcyclohexyle [French] [ACD/IUPAC Name]
207-271-6 [EINECS]
456-59-7 [RN]
cyclandelate [INN]
UNII-4139O1OAY2

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

Density: 1.1±0.1 g/cm3
Boiling Point: 380.1±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.3±3.0 kJ/mol
Flash Point: 150.1±15.1 °C
Index of Refraction: 1.533
Molar Refractivity: 79.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 4.29
ACD/BCF (pH 5.5): 1072.66
ACD/KOC (pH 5.5): 5138.11
ACD/LogD (pH 7.4): 4.29
ACD/BCF (pH 7.4): 1072.64
ACD/KOC (pH 7.4): 5138.02
Polar Surface Area: 47 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 41.9±5.0 dyne/cm
Molar Volume: 254.6±5.0 cm3

Click to predict properties on the Chemicalize site


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