Chemical Properties of DL-Alanine, N-methyl-N-(byt-2-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/h21H,5,7,9-20H2,1-4H3

InChI Key

NELPLQOASRVQMT-UHFFFAOYSA-N

Formula

C23H41NO4

SMILES

CC#CCOC(=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°	-13.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-673.10	kJ/mol	Joback Calculated Property
ΔfusH°	63.52	kJ/mol	Joback Calculated Property
ΔvapH°	88.91	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	996.39	kPa	Joback Calculated Property
Inp	[2686.00; 2686.00]
Inp	2686.00		NIST
Inp	2686.00		NIST
Tboil	899.22	K	Joback Calculated Property
Tc	1101.18	K	Joback Calculated Property
Tfus	616.86	K	Joback Calculated Property
Vc	1.345	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1146.89; 1239.10]	J/mol×K	[899.22; 1101.18]
Cp,gas	1146.89	J/mol×K	899.22	Joback Calculated Property
Cp,gas	1165.37	J/mol×K	932.88	Joback Calculated Property
Cp,gas	1182.56	J/mol×K	966.54	Joback Calculated Property
Cp,gas	1198.50	J/mol×K	1000.20	Joback Calculated Property
Cp,gas	1213.21	J/mol×K	1033.86	Joback Calculated Property
Cp,gas	1226.73	J/mol×K	1067.52	Joback Calculated Property
Cp,gas	1239.10	J/mol×K	1101.18	Joback Calculated Property

Similar Compounds

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

Sources

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

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