Chemical Properties of DL-Alanine, N-methyl-N-(byt-3-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/h2,20H,5,7-19H2,1,3-4H3

InChI Key

KVONDWABJOVAPK-UHFFFAOYSA-N

Formula

C22H39NO4

SMILES

C#CCCOC(=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	0.9990		Relay (1.0) Calculated Property
ΔfG°	-2.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-812.77	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	60.78	kJ/mol	Joback Calculated Property
ΔvapH°	114.40	kJ/mol	Relay (1.0) Calculated Property
IE	8.91	eV	Relay (1.0) Calculated Property
log10WS	-5.40		Relay (1.0) Calculated Property
logPoct/wat	5.321		Crippen Calculated Property
McVol	337.100	ml/mol	McGowan Calculated Property
Pc	1051.41	kPa	Joback Calculated Property
Inp	[2510.00; 2510.00]
Inp	2510.00		NIST
Inp	2510.00		NIST
Tboil	649.05	K	Relay (1.0) Calculated Property
Tc	826.73	K	Relay (1.0) Calculated Property
Tfus	317.47	K	Relay (1.0) Calculated Property
Vc	1.239	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1078.29; 1170.92]	J/mol×K	[857.46; 1050.78]
Cp,gas	1078.29	J/mol×K	857.46	Joback Calculated Property
Cp,gas	1096.46	J/mol×K	889.68	Joback Calculated Property
Cp,gas	1113.49	J/mol×K	921.90	Joback Calculated Property
Cp,gas	1129.41	J/mol×K	954.12	Joback Calculated Property
Cp,gas	1144.27	J/mol×K	986.34	Joback Calculated Property
Cp,gas	1158.09	J/mol×K	1018.56	Joback Calculated Property
Cp,gas	1170.92	J/mol×K	1050.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Alanine, N-methyl-N-(byt-3-yn-1-yloxycarbonyl)-, tridecyl ester.

Sources

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

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