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

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	1.1431		Relay (1.0) Calculated Property
ΔfG°	-20.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-873.23	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	66.81	kJ/mol	Joback Calculated Property
ΔvapH°	121.93	kJ/mol	Relay (1.0) Calculated Property
IE	8.64	eV	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	838.21	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	849.38	K	Relay (1.0) Calculated Property
Tfus	322.60	K	Relay (1.0) Calculated Property
Vc	1.439	m3/kmol	Relay (1.0) 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

• 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.