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

InChI

InChI=1S/C19H35NO4/c1-12(2)11-23-18(21)15(6)20(7)19(22)24-17-10-14(5)8-9-16(17)13(3)4/h12-17H,8-11H2,1-7H3

InChI Key

GHSGASZEMMLCHA-UHFFFAOYSA-N

Formula

C19H35NO4

SMILES

CC(C)COC(=O)C(C)N(C)C(=O)OC1CC(C)CCC1C(C)C

Molecular Weight¹

341.49

• 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	0.7300		Relay (1.0) Calculated Property
ΔfG°	-246.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-995.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.97	kJ/mol	Joback Calculated Property
ΔvapH°	93.58	kJ/mol	Relay (1.0) Calculated Property
IE	8.67	eV	Relay (1.0) Calculated Property
log10WS	-4.11		Relay (1.0) Calculated Property
logPoct/wat	4.103		Crippen Calculated Property
McVol	292.570	ml/mol	McGowan Calculated Property
Pc	1285.59	kPa	Joback Calculated Property
Inp	[2058.00; 2058.00]
Inp	2058.00		NIST
Inp	2058.00		NIST
Tboil	605.61	K	Relay (1.0) Calculated Property
Tc	806.06	K	Relay (1.0) Calculated Property
Tfus	286.52	K	Relay (1.0) Calculated Property
Vc	1.048	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[956.41; 1055.56]	J/mol×K	[808.03; 1007.80]
Cp,gas	956.41	J/mol×K	808.03	Joback Calculated Property
Cp,gas	976.48	J/mol×K	841.33	Joback Calculated Property
Cp,gas	995.11	J/mol×K	874.62	Joback Calculated Property
Cp,gas	1012.32	J/mol×K	907.92	Joback Calculated Property
Cp,gas	1028.12	J/mol×K	941.21	Joback Calculated Property
Cp,gas	1042.53	J/mol×K	974.51	Joback Calculated Property
Cp,gas	1055.56	J/mol×K	1007.80	Joback Calculated Property

Similar Compounds

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

Sources

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

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