Chemical Properties of DL-Alanine, N-methyl-N-((1R)-(-)-menthyloxycarbonyl)-, pentyl ester

InChI

InChI=1S/C20H37NO4/c1-7-8-9-12-24-19(22)16(5)21(6)20(23)25-18-13-15(4)10-11-17(18)14(2)3/h14-18H,7-13H2,1-6H3

InChI Key

YMDSXADJKNPYJR-UHFFFAOYSA-N

Formula

C20H37NO4

SMILES

CCCCCOC(=O)C(C)N(C)C(=O)OC1CC(C)CCC1C(C)C

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	0.7951		Relay (1.0) Calculated Property
ΔfG°	-235.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-997.09	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.08	kJ/mol	Joback Calculated Property
ΔvapH°	98.77	kJ/mol	Relay (1.0) Calculated Property
IE	8.60	eV	Relay (1.0) Calculated Property
log10WS	-4.37		Relay (1.0) Calculated Property
logPoct/wat	4.638		Crippen Calculated Property
McVol	306.660	ml/mol	McGowan Calculated Property
Pc	1194.82	kPa	Joback Calculated Property
Inp	[2178.00; 2178.00]
Inp	2178.00		NIST
Inp	2178.00		NIST
Tboil	614.23	K	Relay (1.0) Calculated Property
Tc	818.88	K	Relay (1.0) Calculated Property
Tfus	278.56	K	Relay (1.0) Calculated Property
Vc	1.099	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1017.19; 1115.08]	J/mol×K	[831.35; 1029.52]
Cp,gas	1017.19	J/mol×K	831.35	Joback Calculated Property
Cp,gas	1037.06	J/mol×K	864.38	Joback Calculated Property
Cp,gas	1055.48	J/mol×K	897.41	Joback Calculated Property
Cp,gas	1072.48	J/mol×K	930.43	Joback Calculated Property
Cp,gas	1088.06	J/mol×K	963.46	Joback Calculated Property
Cp,gas	1102.26	J/mol×K	996.49	Joback Calculated Property
Cp,gas	1115.08	J/mol×K	1029.52	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Alanine, N-methyl-N-((1R)-(-)-menthyloxycarbonyl)-, pentyl ester.

Sources

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

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