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Search term: VNBVHFIFLJGMIF (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 4-(4-Hexylbicyclo[2.2.2]oct-1-yl)phenyl butyrate | C24H36O2

4-(4-Hexylbicyclo[2.2.2]oct-1-yl)phenyl butyrate

  • Molecular FormulaC24H36O2
  • Average mass356.541 Da
  • Monoisotopic mass356.271515 Da
  • ChemSpider ID28696257

More details:






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

4-(4-Hexylbicyclo[2.2.2]oct-1-yl)phenyl butyrate [ACD/IUPAC Name]
4-(4-Hexylbicyclo[2.2.2]oct-1-yl)phenylbutyrat [German] [ACD/IUPAC Name]
Butanoic acid, 4-(4-hexylbicyclo[2.2.2]oct-1-yl)phenyl ester [ACD/Index Name]
Butyrate de 4-(4-hexylbicyclo[2.2.2]oct-1-yl)phényle [French] [ACD/IUPAC Name]
4-(4-Hexylbicyclo[2.2.2]octan-1-yl)phenyl butanoate
4-(4-Hexylbicyclo[2.2.2]octan-1-yl)phenyl butyrate
4-{4-HEXYLBICYCLO[2.2.2]OCTAN-1-YL}PHENYL BUTANOATE
89027-45-2 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 447.0±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.5±3.0 kJ/mol
Flash Point: 142.2±11.9 °C
Index of Refraction: 1.526
Molar Refractivity: 107.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 8.68
ACD/LogD (pH 5.5): 7.95
ACD/BCF (pH 5.5): 650163.56
ACD/KOC (pH 5.5): 504117.56
ACD/LogD (pH 7.4): 7.95
ACD/BCF (pH 7.4): 650163.56
ACD/KOC (pH 7.4): 504117.56
Polar Surface Area: 26 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 350.9±3.0 cm3

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