Chemical Properties of DL-Alanine, N-methyl-N-(byt-3-yn-1-yloxycarbonyl)-, tetradecyl ester

InChI

InChI=1S/C23H41NO4/c1-5-7-9-10-11-12-13-14-15-16-17-18-20-27-22(25)21(3)24(4)23(26)28-19-8-6-2/h2,21H,5,7-20H2,1,3-4H3

InChI Key

HBQGZGIEFZOUJG-UHFFFAOYSA-N

Formula

C23H41NO4

SMILES

C#CCCOC(=O)N(C)C(C)C(=O)OCCCCCCCCCCCCCC

Molecular Weight¹

395.58

• 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	1.0343		Relay (1.0) Calculated Property
ΔfG°	6.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-834.08	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	63.37	kJ/mol	Joback Calculated Property
ΔvapH°	118.32	kJ/mol	Relay (1.0) Calculated Property
IE	8.94	eV	Relay (1.0) Calculated Property
log10WS	-5.71		Relay (1.0) Calculated Property
logPoct/wat	5.711		Crippen Calculated Property
McVol	351.190	ml/mol	McGowan Calculated Property
Pc	988.88	kPa	Joback Calculated Property
Inp	[2606.00; 2606.00]
Inp	2606.00		NIST
Inp	2606.00		NIST
Tboil	656.23	K	Relay (1.0) Calculated Property
Tc	834.51	K	Relay (1.0) Calculated Property
Tfus	320.81	K	Relay (1.0) Calculated Property
Vc	1.293	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1139.99; 1234.15]	J/mol×K	[880.34; 1077.89]
Cp,gas	1139.99	J/mol×K	880.34	Joback Calculated Property
Cp,gas	1158.58	J/mol×K	913.27	Joback Calculated Property
Cp,gas	1175.95	J/mol×K	946.19	Joback Calculated Property
Cp,gas	1192.16	J/mol×K	979.12	Joback Calculated Property
Cp,gas	1207.23	J/mol×K	1012.04	Joback Calculated Property
Cp,gas	1221.21	J/mol×K	1044.97	Joback Calculated Property
Cp,gas	1234.15	J/mol×K	1077.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Alanine, N-methyl-N-(byt-3-yn-1-yloxycarbonyl)-, tetradecyl ester.

Sources

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

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