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

InChI

InChI=1S/C22H39NO4/c1-5-7-9-10-11-12-13-14-15-16-17-19-26-21(24)20(3)23(4)22(25)27-18-8-6-2/h20H,5,7,9-19H2,1-4H3

InChI Key

TZBNODJZOIFGFD-UHFFFAOYSA-N

Formula

C22H39NO4

SMILES

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

Molecular Weight¹

381.55

• 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	0.9856		Relay (1.0) Calculated Property
ΔfG°	-22.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-805.47	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	60.93	kJ/mol	Joback Calculated Property
ΔvapH°	114.69	kJ/mol	Relay (1.0) Calculated Property
IE	8.79	eV	Relay (1.0) Calculated Property
log10WS	-5.59		Relay (1.0) Calculated Property
logPoct/wat	5.321		Crippen Calculated Property
McVol	337.100	ml/mol	McGowan Calculated Property
Pc	1059.64	kPa	Joback Calculated Property
Inp	[2591.00; 2591.00]
Inp	2591.00		NIST
Inp	2591.00		NIST
Tboil	621.56	K	Relay (1.0) Calculated Property
Tc	828.94	K	Relay (1.0) Calculated Property
Tfus	321.02	K	Relay (1.0) Calculated Property
Vc	1.244	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1085.00; 1176.22]	J/mol×K	[876.34; 1074.36]
Cp,gas	1085.00	J/mol×K	876.34	Joback Calculated Property
Cp,gas	1103.14	J/mol×K	909.34	Joback Calculated Property
Cp,gas	1120.07	J/mol×K	942.35	Joback Calculated Property
Cp,gas	1135.81	J/mol×K	975.35	Joback Calculated Property
Cp,gas	1150.40	J/mol×K	1008.35	Joback Calculated Property
Cp,gas	1163.85	J/mol×K	1041.36	Joback Calculated Property
Cp,gas	1176.22	J/mol×K	1074.36	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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