ChemSpider 2D Image | Ethyl 6-[4-(heptyloxy)phenyl]-6-oxohexanoate | C21H32O4

Ethyl 6-[4-(heptyloxy)phenyl]-6-oxohexanoate

  • Molecular FormulaC21H32O4
  • Average mass348.476 Da
  • Monoisotopic mass348.230072 Da
  • ChemSpider ID21402357

More details:

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

6-[4-(Heptyloxy)phényl]-6-oxohexanoate d'éthyle [French] [ACD/IUPAC Name]
898757-99-8 [RN]
Benzenehexanoic acid, 4-(heptyloxy)-ε-oxo-, ethyl ester [ACD/Index Name]
Ethyl 6-[4-(heptyloxy)phenyl]-6-oxohexanoate [ACD/IUPAC Name]
Ethyl-6-[4-(heptyloxy)phenyl]-6-oxohexanoat [German] [ACD/IUPAC Name]
ethyl 6-(4-heptoxyphenyl)-6-oxohexanoate
ethyl 6-(4-heptyloxyphenyl)-6-oxohexanoate
ETHYL6-(4-HEPTYLOXYPHENYL)-6-OXOHEXANOATE
MFCD02261468 [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: 463.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.5±3.0 kJ/mol
Flash Point: 199.1±23.2 °C
Index of Refraction: 1.491
Molar Refractivity: 100.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 6.22
ACD/LogD (pH 5.5): 6.17
ACD/BCF (pH 5.5): 28631.92
ACD/KOC (pH 5.5): 53926.00
ACD/LogD (pH 7.4): 6.17
ACD/BCF (pH 7.4): 28631.92
ACD/KOC (pH 7.4): 53926.00
Polar Surface Area: 53 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 36.4±3.0 dyne/cm
Molar Volume: 346.5±3.0 cm3

Click to predict properties on the Chemicalize site


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