Chemical Properties of «beta»-Alanine, N-(3-methylbut-2-enoyl)-, tetradecyl ester

InChI

InChI=1S/C22H41NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-26-22(25)16-17-23-21(24)19-20(2)3/h19H,4-18H2,1-3H3,(H,23,24)

InChI Key

RRRWSPCXSJBNIK-UHFFFAOYSA-N

Formula

C22H41NO3

SMILES

CCCCCCCCCCCCCCOC(=O)CCNC(=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	1.0794		Relay (... Calculated Property
ΔfG°	-67.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-854.76	kJ/mol	Relay (... Calculated Property
ΔfusH°	61.11	kJ/mol	Joback Calculated Property
ΔvapH°	113.71	kJ/mol	Relay (... Calculated Property
IE	8.86	eV	Relay (... Calculated Property
log10WS	-6.07		Relay (... Calculated Property
logPoct/wat	5.703		Crippen Calculated Property
McVol	335.530	ml/mol	McGowan Calculated Property
Pc	1007.17	kPa	Joback Calculated Property
Inp	[2808.00; 2808.00]
Inp	2808.00		NIST
Inp	2808.00		NIST
Tboil	635.17	K	Relay (... Calculated Property
Tc	844.81	K	Relay (... Calculated Property
Tfus	334.29	K	Relay (... Calculated Property
Vc	1.263	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1098.45; 1193.78]	J/mol×K	[887.13; 1086.22]
Cp,gas	1098.45	J/mol×K	887.13	Joback Calculated Property
Cp,gas	1116.94	J/mol×K	920.31	Joback Calculated Property
Cp,gas	1134.32	J/mol×K	953.49	Joback Calculated Property
Cp,gas	1150.64	J/mol×K	986.68	Joback Calculated Property
Cp,gas	1165.95	J/mol×K	1019.86	Joback Calculated Property
Cp,gas	1180.32	J/mol×K	1053.04	Joback Calculated Property
Cp,gas	1193.78	J/mol×K	1086.22	Joback Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Alanine, 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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