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

• 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	1.0211		Relay (1.0) Calculated Property
ΔfG°	-13.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-826.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	63.52	kJ/mol	Joback Calculated Property
ΔvapH°	118.62	kJ/mol	Relay (1.0) Calculated Property
IE	8.83	eV	Relay (1.0) Calculated Property
log10WS	-5.90		Relay (1.0) 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	628.51	K	Relay (1.0) Calculated Property
Tc	836.68	K	Relay (1.0) Calculated Property
Tfus	324.06	K	Relay (1.0) Calculated Property
Vc	1.299	m3/kmol	Relay (1.0) 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

• Cheméo Relay (1.0)
• 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.