Chemical Properties of Sarcosine, N-(4-chlorobenzoyl)-, undecyl ester

InChI

InChI=1S/C21H32ClNO3/c1-3-4-5-6-7-8-9-10-11-16-26-20(24)17-23(2)21(25)18-12-14-19(22)15-13-18/h12-15H,3-11,16-17H2,1-2H3

InChI Key

GJYSOEJLPGTJJA-UHFFFAOYSA-N

Formula

C21H32ClNO3

SMILES

CCCCCCCCCCCOC(=O)CN(C)C(=O)c1ccc(Cl)cc1

Molecular Weight¹

381.94

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	56.98	kJ/mol	Joback Calculated Property
ΔvapH°	116.51	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.04		Relay (1.0) Calculated Property
logPoct/wat	5.486		Crippen Calculated Property
McVol	314.220	ml/mol	McGowan Calculated Property
Pc	1198.13	kPa	Joback Calculated Property
Inp	[2931.00; 2931.00]
Inp	2931.00		NIST
Inp	2931.00		NIST
Tboil	665.69	K	Relay (1.0) Calculated Property
Tfus	305.69	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[971.35; 1049.77]	J/mol×K	[873.70; 1076.39]
Cp,gas	971.35	J/mol×K	873.70	Joback Calculated Property
Cp,gas	987.13	J/mol×K	907.48	Joback Calculated Property
Cp,gas	1001.76	J/mol×K	941.26	Joback Calculated Property
Cp,gas	1015.29	J/mol×K	975.05	Joback Calculated Property
Cp,gas	1027.76	J/mol×K	1008.83	Joback Calculated Property
Cp,gas	1039.24	J/mol×K	1042.61	Joback Calculated Property
Cp,gas	1049.77	J/mol×K	1076.39	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(4-chlorobenzoyl)-, undecyl ester.

Sources

• Cheméo Relay (1.0)
• 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.
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