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

InChI

InChI=1S/C30H57NO4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-22-34-29(32)26(5)31(6)30(33)35-28-23-25(4)20-21-27(28)24(2)3/h24-28H,7-23H2,1-6H3

InChI Key

CAQACZMZSNZDDO-UHFFFAOYSA-N

Formula

C30H57NO4

SMILES

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

Molecular Weight¹

495.78

• 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	1.1672		Relay (1.0) Calculated Property
ΔfG°	-151.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-1197.82	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	68.98	kJ/mol	Joback Calculated Property
ΔvapH°	137.73	kJ/mol	Relay (1.0) Calculated Property
IE	8.95	eV	Relay (1.0) Calculated Property
log10WS	-7.52		Relay (1.0) Calculated Property
logPoct/wat	8.538		Crippen Calculated Property
McVol	447.560	ml/mol	McGowan Calculated Property
Pc	673.60	kPa	Joback Calculated Property
Inp	[3140.00; 3140.00]
Inp	3140.00		NIST
Inp	3140.00		NIST
Tboil	684.32	K	Relay (1.0) Calculated Property
Tc	900.72	K	Relay (1.0) Calculated Property
Tfus	302.45	K	Relay (1.0) Calculated Property
Vc	1.641	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1654.19; 1741.05]	J/mol×K	[1060.15; 1311.69]
Cp,gas	1654.19	J/mol×K	1060.15	Joback Calculated Property
Cp,gas	1674.97	J/mol×K	1102.07	Joback Calculated Property
Cp,gas	1693.10	J/mol×K	1144.00	Joback Calculated Property
Cp,gas	1708.68	J/mol×K	1185.92	Joback Calculated Property
Cp,gas	1721.81	J/mol×K	1227.84	Joback Calculated Property
Cp,gas	1732.57	J/mol×K	1269.77	Joback Calculated Property
Cp,gas	1741.05	J/mol×K	1311.69	Joback Calculated Property

Similar Compounds

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

Sources

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

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