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

InChI

InChI=1S/C21H37NO4/c1-5-7-9-10-11-12-13-14-15-16-18-25-20(23)19(3)22(4)21(24)26-17-8-6-2/h2,19H,5,7-18H2,1,3-4H3

InChI Key

GWAXVRHHCYKOCO-UHFFFAOYSA-N

Formula

C21H37NO4

SMILES

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

Molecular Weight¹

367.52

• 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	0.9636		Relay (1.0) Calculated Property
ΔfG°	-10.49	kJ/mol	Joback Calculated Property
ΔfH°gas	-791.79	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	58.19	kJ/mol	Joback Calculated Property
ΔvapH°	110.43	kJ/mol	Relay (1.0) Calculated Property
IE	8.88	eV	Relay (1.0) Calculated Property
log10WS	-5.08		Relay (1.0) Calculated Property
logPoct/wat	4.931		Crippen Calculated Property
McVol	323.010	ml/mol	McGowan Calculated Property
Pc	1120.05	kPa	Joback Calculated Property
Inp	[2410.00; 2410.00]
Inp	2410.00		NIST
Inp	2410.00		NIST
Tboil	641.65	K	Relay (1.0) Calculated Property
Tc	818.51	K	Relay (1.0) Calculated Property
Tfus	313.99	K	Relay (1.0) Calculated Property
Vc	1.184	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1017.27; 1108.42]	J/mol×K	[834.58; 1024.52]
Cp,gas	1017.27	J/mol×K	834.58	Joback Calculated Property
Cp,gas	1035.05	J/mol×K	866.24	Joback Calculated Property
Cp,gas	1051.76	J/mol×K	897.89	Joback Calculated Property
Cp,gas	1067.42	J/mol×K	929.55	Joback Calculated Property
Cp,gas	1082.06	J/mol×K	961.21	Joback Calculated Property
Cp,gas	1095.72	J/mol×K	992.86	Joback Calculated Property
Cp,gas	1108.42	J/mol×K	1024.52	Joback Calculated Property

Similar Compounds

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

Sources

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

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