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_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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	68.39	kJ/mol	Joback Calculated Property
ΔvapH°	123.56	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.69		Relay (1.0) Calculated Property
logPoct/wat	6.826		Crippen Calculated Property
McVol	377.800	ml/mol	McGowan Calculated Property
Pc	818.66	kPa	Joback Calculated Property
Inp	[3137.00; 3137.00]
Inp	3137.00		NIST
Inp	3137.00		NIST
Tboil	645.37	K	Relay (1.0) Calculated Property
Tc	852.33	K	Relay (1.0) Calculated Property
Tfus	314.16	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1256.50; 1361.57]	J/mol×K	[900.17; 1102.76]
Cp,gas	1256.50	J/mol×K	900.17	Joback Calculated Property
Cp,gas	1276.98	J/mol×K	933.94	Joback Calculated Property
Cp,gas	1296.18	J/mol×K	967.70	Joback Calculated Property
Cp,gas	1314.16	J/mol×K	1001.47	Joback Calculated Property
Cp,gas	1331.01	J/mol×K	1035.23	Joback Calculated Property
Cp,gas	1346.79	J/mol×K	1069.00	Joback Calculated Property
Cp,gas	1361.57	J/mol×K	1102.76	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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