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

• 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°	6.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-653.50	kJ/mol	Joback Calculated Property
ΔfusH°	63.37	kJ/mol	Joback Calculated Property
ΔvapH°	86.62	kJ/mol	Joback Calculated Property
log10WS	-6.63		Crippen 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	880.34	K	Joback Calculated Property
Tc	1077.89	K	Joback Calculated Property
Tfus	557.73	K	Joback Calculated Property
Vc	1.345	m3/kmol	Joback 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

• 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.