ChemSpider 2D Image | 4-({[4-(2-Methyl-2-propanyl)cyclohexyl]carbonyl}oxy)phenyl 4-(2-methyl-2-propanyl)benzoate | C28H36O4

4-({[4-(2-Methyl-2-propanyl)cyclohexyl]carbonyl}oxy)phenyl 4-(2-methyl-2-propanyl)benzoate

  • Molecular FormulaC28H36O4
  • Average mass436.583 Da
  • Monoisotopic mass436.261353 Da
  • ChemSpider ID67866412

More details:

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

4-({[4-(2-Methyl-2-propanyl)cyclohexyl]carbonyl}oxy)phenyl 4-(2-methyl-2-propanyl)benzoate [ACD/IUPAC Name]
4-({[4-(2-Methyl-2-propanyl)cyclohexyl]carbonyl}oxy)phenyl-4-(2-methyl-2-propanyl)benzoat [German] [ACD/IUPAC Name]
4-(2-Méthyl-2-propanyl)benzoate de 4-({[4-(2-méthyl-2-propanyl)cyclohexyl]carbonyl}oxy)phényle [French] [ACD/IUPAC Name]
Benzoic acid, 4-(1,1-dimethylethyl)-, 4-[[[4-(1,1-dimethylethyl)cyclohexyl]carbonyl]oxy]phenyl ester [ACD/Index Name]
4-{[(4-tert-butylcyclohexyl)carbonyl]oxy}phenyl 4-tert-butylbenzoate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 536.3±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.3±3.0 kJ/mol
Flash Point: 261.3±26.6 °C
Index of Refraction: 1.537
Molar Refractivity: 126.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 8.48
ACD/LogD (pH 5.5): 7.95
ACD/BCF (pH 5.5): 649841.69
ACD/KOC (pH 5.5): 503939.34
ACD/LogD (pH 7.4): 7.95
ACD/BCF (pH 7.4): 649841.69
ACD/KOC (pH 7.4): 503939.34
Polar Surface Area: 53 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 40.6±3.0 dyne/cm
Molar Volume: 405.9±3.0 cm3

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