ChemSpider 2D Image | 2-Chloroethyl 5-oxo-D-prolinate | C7H10ClNO3

2-Chloroethyl 5-oxo-D-prolinate

  • Molecular FormulaC7H10ClNO3
  • Average mass191.612 Da
  • Monoisotopic mass191.034927 Da
  • ChemSpider ID34989265

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Chlorethyl-5-oxo-D-prolinat [German] [ACD/IUPAC Name]
2-Chloroethyl 5-oxo-D-prolinate [ACD/IUPAC Name]
5-Oxo-D-prolinate de 2-chloroéthyle [French] [ACD/IUPAC Name]
D-Proline, 5-oxo-, 2-chloroethyl ester [ACD/Index Name]
159852-64-9 [RN]
CHLOROETHYL PCA
UNII-B472383204

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

Density: 1.3±0.1 g/cm3
Boiling Point: 397.3±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.8±3.0 kJ/mol
Flash Point: 194.1±25.1 °C
Index of Refraction: 1.489
Molar Refractivity: 42.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.33
ACD/LogD (pH 5.5): -0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.22
ACD/LogD (pH 7.4): -0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.22
Polar Surface Area: 55 Å2
Polarizability: 16.8±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 146.8±3.0 cm3

Click to predict properties on the Chemicalize site


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