ChemSpider 2D Image | 3,3,5-Trimethylcyclohexyl salicylate | C16H22O3

3,3,5-Trimethylcyclohexyl salicylate

  • Molecular FormulaC16H22O3
  • Average mass262.344 Da
  • Monoisotopic mass262.156891 Da
  • ChemSpider ID21428153

More details:






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

3,3,5-Trimethylcyclohexyl salicylate [ACD/IUPAC Name]
3,3,5-Trimethylcyclohexylsalicylat [German] [ACD/IUPAC Name]
Benzoic acid, 2-hydroxy-, 3,3,5-trimethylcyclohexyl ester [ACD/Index Name]
Salicylate de 3,3,5-triméthylcyclohexyle [French] [ACD/IUPAC Name]
118-56-9 [RN]
204-260-8 [EINECS]
52253-93-7 [RN]
UNII-V06SV4M95S

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 341.1±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.8±3.0 kJ/mol
Flash Point: 132.3±13.2 °C
Index of Refraction: 1.539
Molar Refractivity: 74.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.82
ACD/LogD (pH 5.5): 5.30
ACD/BCF (pH 5.5): 6335.65
ACD/KOC (pH 5.5): 18306.33
ACD/LogD (pH 7.4): 5.23
ACD/BCF (pH 7.4): 5287.25
ACD/KOC (pH 7.4): 15277.07
Polar Surface Area: 47 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 43.0±5.0 dyne/cm
Molar Volume: 237.3±5.0 cm3

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