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Search term: CJOYQDGLMRPXNM (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Ethyl 8-(4-hexylphenyl)-8-oxooctanoate | C22H34O3

Ethyl 8-(4-hexylphenyl)-8-oxooctanoate

  • Molecular FormulaC22H34O3
  • Average mass346.504 Da
  • Monoisotopic mass346.250793 Da
  • ChemSpider ID21402328

More details:

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

8-(4-Hexylphényl)-8-oxooctanoate d'éthyle [French] [ACD/IUPAC Name]
Benzeneoctanoic acid, 4-hexyl-η-oxo-, ethyl ester [ACD/Index Name]
Ethyl 8-(4-hexylphenyl)-8-oxooctanoate [ACD/IUPAC Name]
Ethyl-8-(4-hexylphenyl)-8-oxooctanoat [German] [ACD/IUPAC Name]
898757-36-3 [RN]
ETHYL8-(4-HEXYLPHENYL)-8-OXOOCTANOATE
MFCD02261407 [MDL number]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 459.8±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.0±3.0 kJ/mol
Flash Point: 196.6±26.8 °C
Index of Refraction: 1.493
Molar Refractivity: 103.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 6.86
ACD/LogD (pH 5.5): 6.63
ACD/BCF (pH 5.5): 64629.89
ACD/KOC (pH 5.5): 96580.41
ACD/LogD (pH 7.4): 6.63
ACD/BCF (pH 7.4): 64629.89
ACD/KOC (pH 7.4): 96580.41
Polar Surface Area: 43 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 36.1±3.0 dyne/cm
Molar Volume: 355.3±3.0 cm3

Click to predict properties on the Chemicalize site


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