Chemical Properties of DL-Alanine, N-methyl-N-(byt-4-en-1-yloxycarbonyl)-, undecyl ester

InChI

InChI=1S/C20H37NO4/c1-5-7-9-10-11-12-13-14-15-17-24-19(22)18(3)21(4)20(23)25-16-8-6-2/h6,18H,2,5,7-17H2,1,3-4H3

InChI Key

JCAZCXJQNUQAAT-UHFFFAOYSA-N

Formula

C20H37NO4

SMILES

C=CCCOC(=O)N(C)C(C)C(=O)OCCCCCCCCCCC

Molecular Weight¹

355.51

• 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	0.9688		Relay (1.0) Calculated Property
ΔfG°	-154.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-934.65	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	51.35	kJ/mol	Joback Calculated Property
ΔvapH°	101.97	kJ/mol	Relay (1.0) Calculated Property
IE	8.96	eV	Relay (1.0) Calculated Property
log10WS	-4.62		Relay (1.0) Calculated Property
logPoct/wat	5.093		Crippen Calculated Property
McVol	313.220	ml/mol	McGowan Calculated Property
Pc	1112.59	kPa	Joback Calculated Property
Inp	[2298.00; 2298.00]
Inp	2298.00		NIST
Inp	2298.00		NIST
Tboil	630.31	K	Relay (1.0) Calculated Property
Tc	801.51	K	Relay (1.0) Calculated Property
Tfus	274.32	K	Relay (1.0) Calculated Property
Vc	1.160	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[985.84; 1078.02]	J/mol×K	[818.26; 1004.42]
Cp,gas	985.84	J/mol×K	818.26	Joback Calculated Property
Cp,gas	1003.77	J/mol×K	849.29	Joback Calculated Property
Cp,gas	1020.64	J/mol×K	880.31	Joback Calculated Property
Cp,gas	1036.47	J/mol×K	911.34	Joback Calculated Property
Cp,gas	1051.29	J/mol×K	942.36	Joback Calculated Property
Cp,gas	1065.13	J/mol×K	973.39	Joback Calculated Property
Cp,gas	1078.02	J/mol×K	1004.42	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Alanine, N-methyl-N-(byt-4-en-1-yloxycarbonyl)-, undecyl ester.

Sources

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

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