Chemical Properties of L-Cysteine, N,S-bis(2-chlorobenzoyl)-, methyl ester

L-Cysteine, N,S-bis(2-chlorobenzoyl)-, methyl ester

InChI
InChI=1S/C18H15Cl2NO4S/c1-25-17(23)15(21-16(22)11-6-2-4-8-13(11)19)10-26-18(24)12-7-3-5-9-14(12)20/h2-9,15H,10H2,1H3,(H,21,22)
InChI Key
FLHMCEAYKRLRKK-UHFFFAOYSA-N
Formula
C18H15Cl2NO4S
SMILES
COC(=O)C(CSC(=O)c1ccccc1Cl)NC(=O)c1ccccc1Cl
Molecular Weight1
412.29
Other Names
  • L-Cysteine,N,O-bis(2-chlorobenzoyl)-, methyl ester
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Physical Properties

Property Value Unit Source
ΔfusH° 51.35 kJ/mol Joback Calculated Property
logPoct/wat 3.838 Crippen Calculated Property
McVol 278.350 ml/mol McGowan Calculated Property
Tboil 685.76 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [359.29; 771.54] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A2.99310e+01
Coefficient B1.41631e+00
Coefficient C-8.04120e-04
Coefficient D1.29420e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 359.29 J/mol×K 273.00 Calculated Property
Cp,gas 436.08 J/mol×K 353.78 Calculated Property
Cp,gas 504.17 J/mol×K 434.56 Calculated Property
Cp,gas 563.97 J/mol×K 515.33 Calculated Property
Cp,gas 615.88 J/mol×K 596.11 Calculated Property
Cp,gas 660.32 J/mol×K 676.89 Calculated Property
Cp,gas 697.70 J/mol×K 757.67 Calculated Property
Cp,gas 728.42 J/mol×K 838.44 Calculated Property
Cp,gas 752.90 J/mol×K 919.22 Calculated Property
Cp,gas 771.54 J/mol×K 1000.00 Calculated Property

Similar Compounds

L-Cysteine, N,S-bis(o-anisoyl)-, methyl ester. l-Cysteine, N,S-bis(3-fluorobenzoyl)-, methyl ester. l-Cysteine, N,S-bis(m-toluoyl)-, methyl ester. l-Cysteine, N,S-bis(2-trifluoromethylbenzoyl)-, methyl ester. l-Cysteine, N,S-bis(2-fluorobenzoyl )-, methyl ester. l-Cysteine, N,S-bis(4-fluorobenzoyl)-, methyl ester. l-Cysteine, N,S-bis(3-trifluoromethylbenzoyl)-, methyl ester. l-Cysteine, N,S-bis(2,3,4-trifluorobenzoyl)-, methyl ester. Desoxyaxillarine. Sceleratine. Jacoline. Gelsemine. Axillarine. Mucronatinine. Retroisosenine.

Find more compounds similar to L-Cysteine, N,S-bis(2-chlorobenzoyl)-, methyl ester.

Sources

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