Chemical Properties of Sarcosine, N-(3-methylbut-2-enoyl)-, heptadecyl ester

InChI

InChI=1S/C25H47NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29-25(28)22-26(4)24(27)21-23(2)3/h21H,5-20,22H2,1-4H3

InChI Key

XYCOMDDXFKKOBW-UHFFFAOYSA-N

Formula

C25H47NO3

SMILES

CCCCCCCCCCCCCCCCCOC(=O)CN(C)C(=O)C=C(C)C

Molecular Weight¹

409.65

• 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°	-20.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-741.75	kJ/mol	Joback Calculated Property
ΔfusH°	66.81	kJ/mol	Joback Calculated Property
ΔvapH°	89.23	kJ/mol	Joback Calculated Property
log10WS	-7.35		Crippen Calculated Property
logPoct/wat	6.826		Crippen Calculated Property
McVol	377.800	ml/mol	McGowan Calculated Property
Pc	838.21	kPa	Joback Calculated Property
Inp	[3137.00; 3137.00]
Inp	3137.00		NIST
Inp	3137.00		NIST
Tboil	918.04	K	Joback Calculated Property
Tc	1125.14	K	Joback Calculated Property
Tfus	507.03	K	Joback Calculated Property
Vc	1.464	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1265.90; 1372.18]	J/mol×K	[918.04; 1125.14]
Cp,gas	1265.90	J/mol×K	918.04	Joback Calculated Property
Cp,gas	1286.52	J/mol×K	952.56	Joback Calculated Property
Cp,gas	1305.88	J/mol×K	987.07	Joback Calculated Property
Cp,gas	1324.05	J/mol×K	1021.59	Joback Calculated Property
Cp,gas	1341.10	J/mol×K	1056.10	Joback Calculated Property
Cp,gas	1357.12	J/mol×K	1090.62	Joback Calculated Property
Cp,gas	1372.18	J/mol×K	1125.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(3-methylbut-2-enoyl)-, heptadecyl ester.

Sources

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

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