ChemSpider 2D Image | Ethyl (2S)-2-(4-isobutylphenyl)propanoate | C15H22O2

Ethyl (2S)-2-(4-isobutylphenyl)propanoate

  • Molecular FormulaC15H22O2
  • Average mass234.334 Da
  • Monoisotopic mass234.161987 Da
  • ChemSpider ID18958531

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(4-Isobutylphényl)propanoate d'éthyle [French] [ACD/IUPAC Name]
272458-63-6 [RN]
Benzeneacetic acid, α-methyl-4-(2-methylpropyl)-, ethyl ester, (αS)- [ACD/Index Name]
Ethyl (2S)-2-(4-isobutylphenyl)propanoate [ACD/IUPAC Name]
Ethyl-(2S)-2-(4-isobutylphenyl)propanoat [German] [ACD/IUPAC Name]
(S)-ibuprofen ethyl ester
Dexibuprofen Ethyl Ester
ethyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate

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

Density: 1.0±0.1 g/cm3
Boiling Point: 304.3±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.5±3.0 kJ/mol
Flash Point: 103.1±17.6 °C
Index of Refraction: 1.492
Molar Refractivity: 70.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.72
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 975.39
ACD/KOC (pH 5.5): 4800.15
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 975.39
ACD/KOC (pH 7.4): 4800.15
Polar Surface Area: 26 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 32.9±3.0 dyne/cm
Molar Volume: 242.2±3.0 cm3

Click to predict properties on the Chemicalize site


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