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

InChI

InChI=1S/C25H45NO4/c1-15(2)20-11-10-18(6)22(14-20)29-24(27)19(7)26(8)25(28)30-23-13-17(5)9-12-21(23)16(3)4/h15-23H,9-14H2,1-8H3

InChI Key

FJKOLRYQWXTQSX-UHFFFAOYSA-N

Formula

C25H45NO4

SMILES

CC1CCC(C(C)C)C(OC(=O)N(C)C(C)C(=O)OC2CC(C(C)C)CCC2C)C1

Molecular Weight¹

423.63

• 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	0.7676		Relay (1.0) Calculated Property
ΔfG°	-186.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-1111.08	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.49	kJ/mol	Joback Calculated Property
ΔvapH°	116.25	kJ/mol	Relay (1.0) Calculated Property
IE	8.53	eV	Relay (1.0) Calculated Property
log10WS	-5.50		Relay (1.0) Calculated Property
logPoct/wat	5.908		Crippen Calculated Property
McVol	366.250	ml/mol	McGowan Calculated Property
Pc	960.88	kPa	Joback Calculated Property
Inp	[2553.00; 2553.00]
Inp	2553.00		NIST
Inp	2553.00		NIST
Tboil	662.70	K	Relay (1.0) Calculated Property
Tc	897.53	K	Relay (1.0) Calculated Property
Tfus	319.30	K	Relay (1.0) Calculated Property
Vc	1.308	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1336.65; 1423.08]	J/mol×K	[955.52; 1175.14]
Cp,gas	1336.65	J/mol×K	955.52	Joback Calculated Property
Cp,gas	1356.58	J/mol×K	992.12	Joback Calculated Property
Cp,gas	1374.25	J/mol×K	1028.73	Joback Calculated Property
Cp,gas	1389.71	J/mol×K	1065.33	Joback Calculated Property
Cp,gas	1402.98	J/mol×K	1101.94	Joback Calculated Property
Cp,gas	1414.09	J/mol×K	1138.54	Joback Calculated Property
Cp,gas	1423.08	J/mol×K	1175.14	Joback Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.