Chemical Properties of l-Serine, N,O-bis(2-chlorobenzoyl)-, methyl ester

InChI

InChI=1S/C18H15Cl2NO5/c1-25-18(24)15(21-16(22)11-6-2-4-8-13(11)19)10-26-17(23)12-7-3-5-9-14(12)20/h2-9,15H,10H2,1H3,(H,21,22)

InChI Key

XKVADCVCQJNALI-UHFFFAOYSA-N

Formula

C18H15Cl2NO5

SMILES

COC(=O)C(COC(=O)c1ccccc1Cl)NC(=O)c1ccccc1Cl

Molecular Weight¹

396.22

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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 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	[354.20; 764.04]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.83810e+01
Coefficient B			1.39512e+00
Coefficient C			-7.68420e-04
Coefficient D			1.08960e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	354.20	J/mol×K	273.00	Calculated Property
Cp,gas	430.59	J/mol×K	353.78	Calculated Property
Cp,gas	498.47	J/mol×K	434.56	Calculated Property
Cp,gas	558.18	J/mol×K	515.33	Calculated Property
Cp,gas	610.05	J/mol×K	596.11	Calculated Property
Cp,gas	654.44	J/mol×K	676.89	Calculated Property
Cp,gas	691.69	J/mol×K	757.67	Calculated Property
Cp,gas	722.14	J/mol×K	838.44	Calculated Property
Cp,gas	746.15	J/mol×K	919.22	Calculated Property
Cp,gas	764.04	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to l-Serine, N,O-bis(2-chlorobenzoyl)-, methyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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