Chemical Properties of Sarcosylsarcosine, n-propoxycarbonyl-, undecyl ester

InChI

InChI=1S/C21H40N2O5/c1-5-7-8-9-10-11-12-13-14-16-27-20(25)18-22(3)19(24)17-23(4)21(26)28-15-6-2/h5-18H2,1-4H3

InChI Key

MTOOOSVVGZHZMD-UHFFFAOYSA-N

Formula

C21H40N2O5

SMILES

CCCCCCCCCCCOC(=O)CN(C)C(=O)CN(C)C(=O)OCCC

Molecular Weight¹

400.55

• 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°	-249.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-943.89	kJ/mol	Joback Calculated Property
ΔfusH°	63.36	kJ/mol	Joback Calculated Property
ΔvapH°	91.48	kJ/mol	Joback Calculated Property
log10WS	-4.23		Crippen Calculated Property
logPoct/wat	3.997		Crippen Calculated Property
McVol	343.160	ml/mol	McGowan Calculated Property
Pc	1052.09	kPa	Joback Calculated Property
Inp	[2765.00; 2765.00]
Inp	2765.00		NIST
Inp	2765.00		NIST
Tboil	911.21	K	Joback Calculated Property
Tc	1116.12	K	Joback Calculated Property
Tfus	585.62	K	Joback Calculated Property
Vc	1.302	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1139.87; 1226.45]	J/mol×K	[911.21; 1116.12]
Cp,gas	1139.87	J/mol×K	911.21	Joback Calculated Property
Cp,gas	1157.45	J/mol×K	945.36	Joback Calculated Property
Cp,gas	1173.71	J/mol×K	979.51	Joback Calculated Property
Cp,gas	1188.70	J/mol×K	1013.66	Joback Calculated Property
Cp,gas	1202.46	J/mol×K	1047.82	Joback Calculated Property
Cp,gas	1215.03	J/mol×K	1081.97	Joback Calculated Property
Cp,gas	1226.45	J/mol×K	1116.12	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosylsarcosine, n-propoxycarbonyl-, undecyl ester.

Sources

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

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