Chemical Properties of DL-Alanine, N-methyl-N-(byt-2-yn-1-yloxycarbonyl)-, heptadecyl ester

InChI

InChI=1S/C26H47NO4/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-30-25(28)24(3)27(4)26(29)31-22-8-6-2/h24H,5,7,9-23H2,1-4H3

InChI Key

QPLILBUIANMJOP-UHFFFAOYSA-N

Formula

C26H47NO4

SMILES

CC#CCOC(=O)N(C)C(C)C(=O)OCCCCCCCCCCCCCCCCC

Molecular Weight¹

437.66

• 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°	11.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-735.02	kJ/mol	Joback Calculated Property
ΔfusH°	71.29	kJ/mol	Joback Calculated Property
ΔvapH°	95.59	kJ/mol	Joback Calculated Property
log10WS	-7.89		Crippen Calculated Property
logPoct/wat	6.881		Crippen Calculated Property
McVol	393.460	ml/mol	McGowan Calculated Property
Pc	837.24	kPa	Joback Calculated Property
Inp	[2977.00; 2977.00]
Inp	2977.00		NIST
Inp	2977.00		NIST
Tboil	967.86	K	Joback Calculated Property
Tc	1187.51	K	Joback Calculated Property
Tfus	650.67	K	Joback Calculated Property
Vc	1.514	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1335.81; 1431.15]	J/mol×K	[967.86; 1187.51]
Cp,gas	1335.81	J/mol×K	967.86	Joback Calculated Property
Cp,gas	1355.49	J/mol×K	1004.47	Joback Calculated Property
Cp,gas	1373.58	J/mol×K	1041.08	Joback Calculated Property
Cp,gas	1390.14	J/mol×K	1077.68	Joback Calculated Property
Cp,gas	1405.22	J/mol×K	1114.29	Joback Calculated Property
Cp,gas	1418.87	J/mol×K	1150.90	Joback Calculated Property
Cp,gas	1431.15	J/mol×K	1187.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Alanine, N-methyl-N-(byt-2-yn-1-yloxycarbonyl)-, heptadecyl ester.

Sources

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

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