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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-35.27	kJ/mol	Joback Calculated Property
ΔfH°gas	-557.30	kJ/mol	Joback Calculated Property
ΔfusH°	55.40	kJ/mol	Joback Calculated Property
ΔvapH°	87.61	kJ/mol	Joback Calculated Property
log10WS	-6.19		Crippen Calculated Property
logPoct/wat	5.486		Crippen Calculated Property
McVol	314.220	ml/mol	McGowan Calculated Property
Pc	1232.88	kPa	Joback Calculated Property
Inp	[2931.00; 2931.00]
Inp	2931.00		NIST
Inp	2931.00		NIST
Tboil	891.57	K	Joback Calculated Property
Tc	1097.17	K	Joback Calculated Property
Tfus	549.85	K	Joback Calculated Property
Vc	1.200	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[977.96; 1056.66]	J/mol×K	[891.57; 1097.17]
Cp,gas	977.96	J/mol×K	891.57	Joback Calculated Property
Cp,gas	993.70	J/mol×K	925.84	Joback Calculated Property
Cp,gas	1008.33	J/mol×K	960.10	Joback Calculated Property
Cp,gas	1021.88	J/mol×K	994.37	Joback Calculated Property
Cp,gas	1034.42	J/mol×K	1028.64	Joback Calculated Property
Cp,gas	1046.00	J/mol×K	1062.91	Joback Calculated Property
Cp,gas	1056.66	J/mol×K	1097.17	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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