ChemSpider 2D Image | ethyl 8-oxo-8-[3-(pyrrolidinomethyl)phenyl]octanoate | C21H31NO3

ethyl 8-oxo-8-[3-(pyrrolidinomethyl)phenyl]octanoate

  • Molecular FormulaC21H31NO3
  • Average mass345.476 Da
  • Monoisotopic mass345.230408 Da
  • ChemSpider ID21399554

More details:

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

898771-13-6 [RN]
8-Oxo-8-[3-(1-pyrrolidinylméthyl)phényl]octanoate d'éthyle [French] [ACD/IUPAC Name]
Benzeneoctanoic acid, η-oxo-3-(1-pyrrolidinylmethyl)-, ethyl ester [ACD/Index Name]
Ethyl 8-oxo-8-[3-(1-pyrrolidinylmethyl)phenyl]octanoate [ACD/IUPAC Name]
ethyl 8-oxo-8-[3-(pyrrolidinomethyl)phenyl]octanoate
Ethyl-8-oxo-8-[3-(1-pyrrolidinylmethyl)phenyl]octanoat [German] [ACD/IUPAC Name]
ethyl 8-oxo-8-[3-(pyrrolidin-1-ylmethyl)phenyl]octanoate
ethyl 8-oxo-8-[3-(pyrrolidinomethyl )phenyl ]octanoate
Ethyl 8-oxo-8-{3-[(pyrrolidin-1-yl)methyl]phenyl}octanoate
ethyl8-oxo-8-[3-(pyrrolidinomethyl)phenyl]octanoate
More...

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

Density: 1.1±0.1 g/cm3
Boiling Point: 464.2±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.6±3.0 kJ/mol
Flash Point: 234.5±25.9 °C
Index of Refraction: 1.528
Molar Refractivity: 100.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 1.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.82
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 8.20
ACD/KOC (pH 7.4): 42.61
Polar Surface Area: 47 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 325.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement