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

InChI

InChI=1S/C22H41NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-26-22(25)19-23(4)21(24)18-20(2)3/h18H,5-17,19H2,1-4H3

InChI Key

SWYLROJHAKZJRR-UHFFFAOYSA-N

Formula

C22H41NO3

SMILES

CCCCCCCCCCCCCCOC(=O)CN(C)C(=O)C=C(C)C

Molecular Weight¹

367.57

• 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	1.0377		Relay (1.0) Calculated Property
ΔfG°	-46.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-811.11	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	59.03	kJ/mol	Joback Calculated Property
ΔvapH°	109.93	kJ/mol	Relay (1.0) Calculated Property
IE	8.53	eV	Relay (1.0) Calculated Property
log10WS	-5.73		Relay (1.0) Calculated Property
logPoct/wat	5.655		Crippen Calculated Property
McVol	335.530	ml/mol	McGowan Calculated Property
Pc	997.65	kPa	Joback Calculated Property
Inp	[2709.00; 2709.00]
Inp	2709.00		NIST
Inp	2709.00		NIST
Tboil	625.41	K	Relay (1.0) Calculated Property
Tc	827.26	K	Relay (1.0) Calculated Property
Tfus	316.14	K	Relay (1.0) Calculated Property
Vc	1.273	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1077.38; 1176.33]	J/mol×K	[849.40; 1040.85]
Cp,gas	1077.38	J/mol×K	849.40	Joback Calculated Property
Cp,gas	1096.37	J/mol×K	881.31	Joback Calculated Property
Cp,gas	1114.29	J/mol×K	913.22	Joback Calculated Property
Cp,gas	1131.20	J/mol×K	945.12	Joback Calculated Property
Cp,gas	1147.14	J/mol×K	977.03	Joback Calculated Property
Cp,gas	1162.16	J/mol×K	1008.94	Joback Calculated Property
Cp,gas	1176.33	J/mol×K	1040.85	Joback Calculated Property

Similar Compounds

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

Sources

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

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