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

InChI

InChI=1S/C21H39NO4/c1-7-8-9-10-13-25-20(23)17(5)22(6)21(24)26-19-14-16(4)11-12-18(19)15(2)3/h15-19H,7-14H2,1-6H3

InChI Key

RQSSIDYAYGIOFB-UHFFFAOYSA-N

Formula

C21H39NO4

SMILES

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

Molecular Weight¹

369.54

• 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	0.8332		Relay (1.0) Calculated Property
ΔfG°	-226.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-1017.81	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	45.67	kJ/mol	Joback Calculated Property
ΔvapH°	102.40	kJ/mol	Relay (1.0) Calculated Property
IE	8.64	eV	Relay (1.0) Calculated Property
log10WS	-4.72		Relay (1.0) Calculated Property
logPoct/wat	5.028		Crippen Calculated Property
McVol	320.750	ml/mol	McGowan Calculated Property
Pc	1119.30	kPa	Joback Calculated Property
Inp	[2265.00; 2265.00]
Inp	2265.00		NIST
Inp	2265.00		NIST
Tboil	622.16	K	Relay (1.0) Calculated Property
Tc	828.41	K	Relay (1.0) Calculated Property
Tfus	279.87	K	Relay (1.0) Calculated Property
Vc	1.153	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1079.07; 1176.27]	J/mol×K	[854.23; 1053.56]
Cp,gas	1079.07	J/mol×K	854.23	Joback Calculated Property
Cp,gas	1098.95	J/mol×K	887.45	Joback Calculated Property
Cp,gas	1117.33	J/mol×K	920.67	Joback Calculated Property
Cp,gas	1134.23	J/mol×K	953.90	Joback Calculated Property
Cp,gas	1149.68	J/mol×K	987.12	Joback Calculated Property
Cp,gas	1163.68	J/mol×K	1020.34	Joback Calculated Property
Cp,gas	1176.27	J/mol×K	1053.56	Joback Calculated Property

Similar Compounds

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

Sources

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

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