Chemical Properties of DL-Alanine, N-methyl-N-(3-chloro-2-methylpropoxycarbonyl)-, tridecyl ester

InChI

InChI=1S/C22H42ClNO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-27-21(25)20(3)24(4)22(26)28-18-19(2)17-23/h19-20H,5-18H2,1-4H3

InChI Key

SPQHCTDLMGRZOX-UHFFFAOYSA-N

Formula

C22H42ClNO4

SMILES

CCCCCCCCCCCCCOC(=O)C(C)N(C)C(=O)OCC(C)CCl

Molecular Weight¹

420.03

• 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	1.0809		Relay (1.0) Calculated Property
ΔfG°	-239.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-1143.88	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	58.48	kJ/mol	Joback Calculated Property
ΔvapH°	115.81	kJ/mol	Relay (1.0) Calculated Property
IE	9.11	eV	Relay (1.0) Calculated Property
log10WS	-5.78		Relay (1.0) Calculated Property
logPoct/wat	6.172		Crippen Calculated Property
McVol	357.940	ml/mol	McGowan Calculated Property
Pc	940.37	kPa	Joback Calculated Property
Inp	[2599.00; 2599.00]
Inp	2599.00		NIST
Inp	2599.00		NIST
Tboil	635.43	K	Relay (1.0) Calculated Property
Tc	841.07	K	Relay (1.0) Calculated Property
Tfus	296.32	K	Relay (1.0) Calculated Property
Vc	1.338	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1168.25; 1259.22]	J/mol×K	[904.33; 1107.25]
Cp,gas	1168.25	J/mol×K	904.33	Joback Calculated Property
Cp,gas	1186.59	J/mol×K	938.15	Joback Calculated Property
Cp,gas	1203.61	J/mol×K	971.97	Joback Calculated Property
Cp,gas	1219.35	J/mol×K	1005.79	Joback Calculated Property
Cp,gas	1233.83	J/mol×K	1039.61	Joback Calculated Property
Cp,gas	1247.11	J/mol×K	1073.43	Joback Calculated Property
Cp,gas	1259.22	J/mol×K	1107.25	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Alanine, N-methyl-N-(3-chloro-2-methylpropoxycarbonyl)-, tridecyl ester.

Sources

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

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