ChemSpider 2D Image | 4-(4-Heptylbicyclo[2.2.2]oct-1-yl)phenyl valerate | C26H40O2

4-(4-Heptylbicyclo[2.2.2]oct-1-yl)phenyl valerate

  • Molecular FormulaC26H40O2
  • Average mass384.595 Da
  • Monoisotopic mass384.302826 Da
  • ChemSpider ID28696261

More details:

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

4-(4-Heptylbicyclo[2.2.2]oct-1-yl)phenyl valerate [ACD/IUPAC Name]
4-(4-Heptylbicyclo[2.2.2]oct-1-yl)phenylvalerat [German] [ACD/IUPAC Name]
Pentanoic acid, 4-(4-heptylbicyclo[2.2.2]oct-1-yl)phenyl ester [ACD/Index Name]
Valérate de 4-(4-heptylbicyclo[2.2.2]oct-1-yl)phényle [French] [ACD/IUPAC Name]
4-(4-Heptylbicyclo[2.2.2]octan-1-yl)phenyl pentanoate
4-{4-HEPTYLBICYCLO[2.2.2]OCTAN-1-YL}PHENYL PENTANOATE
89027-49-6 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 473.1±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.6±3.0 kJ/mol
Flash Point: 147.8±11.9 °C
Index of Refraction: 1.521
Molar Refractivity: 116.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 9.74
ACD/LogD (pH 5.5): 9.03
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1957244.38
ACD/LogD (pH 7.4): 9.03
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1957244.38
Polar Surface Area: 26 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 383.9±3.0 cm3

Click to predict properties on the Chemicalize site


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