Chemical Properties of Sarcosine, N-isobutyryl-, tetradecyl ester

InChI

InChI=1S/C21H41NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-25-20(23)18-22(4)21(24)19(2)3/h19H,5-18H2,1-4H3

InChI Key

XSPARGVZEQSIPS-UHFFFAOYSA-N

Formula

C21H41NO3

SMILES

CCCCCCCCCCCCCCOC(=O)CN(C)C(=O)C(C)C

Molecular Weight¹

355.56

• 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°	-128.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-771.90	kJ/mol	Joback Calculated Property
ΔfusH°	54.03	kJ/mol	Joback Calculated Property
ΔvapH°	79.90	kJ/mol	Joback Calculated Property
log10WS	-5.58		Crippen Calculated Property
logPoct/wat	5.345		Crippen Calculated Property
McVol	325.740	ml/mol	McGowan Calculated Property
Pc	1027.94	kPa	Joback Calculated Property
Inp	[2567.00; 2567.00]
Inp	2567.00		NIST
Inp	2567.00		NIST
Tboil	822.04	K	Joback Calculated Property
Tc	1007.95	K	Joback Calculated Property
Tfus	465.99	K	Joback Calculated Property
Vc	1.254	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1042.26; 1141.36]	J/mol×K	[822.04; 1007.95]
Cp,gas	1042.26	J/mol×K	822.04	Joback Calculated Property
Cp,gas	1061.38	J/mol×K	853.03	Joback Calculated Property
Cp,gas	1079.41	J/mol×K	884.01	Joback Calculated Property
Cp,gas	1096.39	J/mol×K	915.00	Joback Calculated Property
Cp,gas	1112.35	J/mol×K	945.98	Joback Calculated Property
Cp,gas	1127.32	J/mol×K	976.97	Joback Calculated Property
Cp,gas	1141.36	J/mol×K	1007.95	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-isobutyryl-, tetradecyl ester.

Sources

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

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