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

InChI

InChI=1S/C33H63NO4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-37-32(35)29(5)34(6)33(36)38-31-26-28(4)23-24-30(31)27(2)3/h27-31H,7-26H2,1-6H3

InChI Key

NGPGFZRECDSDNR-UHFFFAOYSA-N

Formula

C33H63NO4

SMILES

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

Molecular Weight¹

537.86

• 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).
• 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
ΔfG°	-125.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-1143.44	kJ/mol	Joback Calculated Property
ΔfusH°	76.75	kJ/mol	Joback Calculated Property
ΔvapH°	108.44	kJ/mol	Joback Calculated Property
log10WS	-10.30		Crippen Calculated Property
logPoct/wat	9.709		Crippen Calculated Property
McVol	489.830	ml/mol	McGowan Calculated Property
Pc	583.16	kPa	Joback Calculated Property
Inp	[3462.00; 3462.00]
Inp	3462.00		NIST
Inp	3462.00		NIST
Tboil	1128.79	K	Joback Calculated Property
Tc	1420.73	K	Joback Calculated Property
Tfus	607.36	K	Joback Calculated Property
Vc	1.869	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1849.20; 1928.29]	J/mol×K	[1128.79; 1420.73]
Cp,gas	1849.20	J/mol×K	1128.79	Joback Calculated Property
Cp,gas	1870.60	J/mol×K	1177.45	Joback Calculated Property
Cp,gas	1888.48	J/mol×K	1226.10	Joback Calculated Property
Cp,gas	1903.02	J/mol×K	1274.76	Joback Calculated Property
Cp,gas	1914.39	J/mol×K	1323.41	Joback Calculated Property
Cp,gas	1922.76	J/mol×K	1372.07	Joback Calculated Property
Cp,gas	1928.29	J/mol×K	1420.73	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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