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

InChI

InChI=1S/C22H41NO4/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/h6,20H,2,5,7-19H2,1,3-4H3

InChI Key

NDGOQDUMAKOZBN-UHFFFAOYSA-N

Formula

C22H41NO4

SMILES

C=CCCOC(=O)N(C)C(C)C(=O)OCCCCCCCCCCCCC

Molecular Weight¹

383.57

• 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	1.0404		Relay (1.0) Calculated Property
ΔfG°	-137.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-975.89	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	56.53	kJ/mol	Joback Calculated Property
ΔvapH°	109.77	kJ/mol	Relay (1.0) Calculated Property
IE	9.02	eV	Relay (1.0) Calculated Property
log10WS	-5.24		Relay (1.0) Calculated Property
logPoct/wat	5.874		Crippen Calculated Property
McVol	341.400	ml/mol	McGowan Calculated Property
Pc	982.69	kPa	Joback Calculated Property
Inp	[2493.00; 2493.00]
Inp	2493.00		NIST
Inp	2493.00		NIST
Tboil	644.93	K	Relay (1.0) Calculated Property
Tc	817.56	K	Relay (1.0) Calculated Property
Tfus	283.26	K	Relay (1.0) Calculated Property
Vc	1.270	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1108.39; 1203.67]	J/mol×K	[864.02; 1057.90]
Cp,gas	1108.39	J/mol×K	864.02	Joback Calculated Property
Cp,gas	1127.16	J/mol×K	896.33	Joback Calculated Property
Cp,gas	1144.72	J/mol×K	928.65	Joback Calculated Property
Cp,gas	1161.12	J/mol×K	960.96	Joback Calculated Property
Cp,gas	1176.38	J/mol×K	993.27	Joback Calculated Property
Cp,gas	1190.56	J/mol×K	1025.58	Joback Calculated Property
Cp,gas	1203.67	J/mol×K	1057.90	Joback Calculated Property

Similar Compounds

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

Sources

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

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