ChemSpider 2D Image | 4-(Heptyloxy)phenyl 4-(trans-4-butylcyclohexyl)benzoate | C30H42O3

4-(Heptyloxy)phenyl 4-(trans-4-butylcyclohexyl)benzoate

  • Molecular FormulaC30H42O3
  • Average mass450.653 Da
  • Monoisotopic mass450.313385 Da
  • ChemSpider ID29367732

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-(Heptyloxy)phenyl 4-(trans-4-butylcyclohexyl)benzoate [ACD/IUPAC Name]
4-(Heptyloxy)phenyl-4-(trans-4-butylcyclohexyl)benzoat [German] [ACD/IUPAC Name]
4-(trans-4-Butylcyclohexyl)benzoate de 4-(heptyloxy)phényle [French] [ACD/IUPAC Name]
89331-95-3 [RN]
Benzoic acid, 4-(trans-4-butylcyclohexyl)-, 4-(heptyloxy)phenyl ester [ACD/Index Name]
4-heptyloxyphenyl 4-trans-(4-butylcyclohexyl)benzoate
4-HEPTYLOXYPHENYL-4-TRANS-(4-BUTYLCYCLOHEXYL)BENZOATE
4-Heptyloxyphenyl-4-Trans-ButylcyclohexylBenzoa

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

Density: 1.0±0.1 g/cm3
Boiling Point: 566.7±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 247.9±22.8 °C
Index of Refraction: 1.523
Molar Refractivity: 136.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 11.50
ACD/LogD (pH 5.5): 10.24
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 8819958.00
ACD/LogD (pH 7.4): 10.24
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 8819958.00
Polar Surface Area: 36 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 37.8±3.0 dyne/cm
Molar Volume: 447.7±3.0 cm3

Click to predict properties on the Chemicalize site


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