Chemical Properties of Sarcosine, N-(4-methylbenzoyl)-, decyl ester

InChI

InChI=1S/C21H33NO3/c1-4-5-6-7-8-9-10-11-16-25-20(23)17-22(3)21(24)19-14-12-18(2)13-15-19/h12-15H,4-11,16-17H2,1-3H3

InChI Key

AHQIBKRBPYXBHY-UHFFFAOYSA-N

Formula

C21H33NO3

SMILES

CCCCCCCCCCOC(=O)CN(C)C(=O)c1ccc(C)cc1

Molecular Weight¹

347.49

• 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°	-23.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-541.56	kJ/mol	Joback Calculated Property
ΔfusH°	51.20	kJ/mol	Joback Calculated Property
ΔvapH°	83.22	kJ/mol	Joback Calculated Property
log10WS	-5.56		Crippen Calculated Property
logPoct/wat	4.751		Crippen Calculated Property
McVol	301.980	ml/mol	McGowan Calculated Property
Pc	1265.55	kPa	Joback Calculated Property
Inp	[2720.00; 2720.00]
Inp	2720.00		NIST
Inp	2720.00		NIST
Tboil	854.14	K	Joback Calculated Property
Tc	1053.99	K	Joback Calculated Property
Tfus	519.93	K	Joback Calculated Property
Vc	1.151	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[950.02; 1035.16]	J/mol×K	[854.14; 1053.99]
Cp,gas	950.02	J/mol×K	854.14	Joback Calculated Property
Cp,gas	966.86	J/mol×K	887.45	Joback Calculated Property
Cp,gas	982.58	J/mol×K	920.76	Joback Calculated Property
Cp,gas	997.22	J/mol×K	954.06	Joback Calculated Property
Cp,gas	1010.84	J/mol×K	987.37	Joback Calculated Property
Cp,gas	1023.47	J/mol×K	1020.68	Joback Calculated Property
Cp,gas	1035.16	J/mol×K	1053.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(4-methylbenzoyl)-, decyl ester.

Sources

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

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