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

InChI

InChI=1S/C24H45NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28-24(27)21-25(4)23(26)20-22(2)3/h20H,5-19,21H2,1-4H3

InChI Key

IDGQHSSDAHWMDH-UHFFFAOYSA-N

Formula

C24H45NO3

SMILES

CCCCCCCCCCCCCCCCOC(=O)CN(C)C(=O)C=C(C)C

Molecular Weight¹

395.62

• 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	1.1081		Relay (1.0) Calculated Property
ΔfG°	-29.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-852.84	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	64.22	kJ/mol	Joback Calculated Property
ΔvapH°	117.95	kJ/mol	Relay (1.0) Calculated Property
IE	8.61	eV	Relay (1.0) Calculated Property
log10WS	-6.36		Relay (1.0) Calculated Property
logPoct/wat	6.435		Crippen Calculated Property
McVol	363.710	ml/mol	McGowan Calculated Property
Pc	886.83	kPa	Joback Calculated Property
Inp	[2972.00; 2972.00]
Inp	2972.00		NIST
Inp	2972.00		NIST
Tboil	638.82	K	Relay (1.0) Calculated Property
Tc	842.45	K	Relay (1.0) Calculated Property
Tfus	320.52	K	Relay (1.0) Calculated Property
Vc	1.383	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1202.43; 1306.03]	J/mol×K	[895.16; 1096.08]
Cp,gas	1202.43	J/mol×K	895.16	Joback Calculated Property
Cp,gas	1222.45	J/mol×K	928.65	Joback Calculated Property
Cp,gas	1241.28	J/mol×K	962.13	Joback Calculated Property
Cp,gas	1258.99	J/mol×K	995.62	Joback Calculated Property
Cp,gas	1275.64	J/mol×K	1029.11	Joback Calculated Property
Cp,gas	1291.30	J/mol×K	1062.59	Joback Calculated Property
Cp,gas	1306.03	J/mol×K	1096.08	Joback Calculated Property

Similar Compounds

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

Sources

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

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