ChemSpider 2D Image | Diethyl (2S)-2-benzylsuccinate | C15H20O4

Diethyl (2S)-2-benzylsuccinate

  • Molecular FormulaC15H20O4
  • Average mass264.317 Da
  • Monoisotopic mass264.136169 Da
  • ChemSpider ID74156140

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Benzylsuccinate de diéthyle [French] [ACD/IUPAC Name]
Butanedioic acid, 2-(phenylmethyl)-, diethyl ester, (2S)- [ACD/Index Name]
Diethyl (2S)-2-benzylsuccinate [ACD/IUPAC Name]
Diethyl-(2S)-2-benzylsuccinat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 356.4±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.2±3.0 kJ/mol
Flash Point: 171.3±23.0 °C
Index of Refraction: 1.497
Molar Refractivity: 71.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 162.22
ACD/KOC (pH 5.5): 1329.21
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 162.22
ACD/KOC (pH 7.4): 1329.21
Polar Surface Area: 53 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 245.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement