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

• 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).
• 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
ΔfG°	-10.49	kJ/mol	Joback Calculated Property
ΔfH°gas	-612.22	kJ/mol	Joback Calculated Property
ΔfusH°	58.19	kJ/mol	Joback Calculated Property
ΔvapH°	82.17	kJ/mol	Joback Calculated Property
log10WS	-5.79		Crippen 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	834.58	K	Joback Calculated Property
Tc	1024.52	K	Joback Calculated Property
Tfus	535.19	K	Joback Calculated Property
Vc	1.234	m3/kmol	Joback 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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.