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

InChI

InChI=1S/C31H59NO4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-35-30(33)27(5)32(6)31(34)36-29-24-26(4)21-22-28(29)25(2)3/h25-29H,7-24H2,1-6H3

InChI Key

MNZDEGCJOIHZGV-UHFFFAOYSA-N

Formula

C31H59NO4

SMILES

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

Molecular Weight¹

509.80

• 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	1.2031		Relay (1.0) Calculated Property
ΔfG°	-142.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-1217.63	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	71.57	kJ/mol	Joback Calculated Property
ΔvapH°	141.62	kJ/mol	Relay (1.0) Calculated Property
IE	8.98	eV	Relay (1.0) Calculated Property
log10WS	-7.83		Relay (1.0) Calculated Property
logPoct/wat	8.929		Crippen Calculated Property
McVol	461.650	ml/mol	McGowan Calculated Property
Pc	641.25	kPa	Joback Calculated Property
Inp	[3244.00; 3244.00]
Inp	3244.00		NIST
Inp	3244.00		NIST
Tboil	690.90	K	Relay (1.0) Calculated Property
Tc	907.66	K	Relay (1.0) Calculated Property
Tfus	304.91	K	Relay (1.0) Calculated Property
Vc	1.695	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1719.15; 1803.86]	J/mol×K	[1083.03; 1346.43]
Cp,gas	1719.15	J/mol×K	1083.03	Joback Calculated Property
Cp,gas	1740.12	J/mol×K	1126.93	Joback Calculated Property
Cp,gas	1758.20	J/mol×K	1170.83	Joback Calculated Property
Cp,gas	1773.51	J/mol×K	1214.73	Joback Calculated Property
Cp,gas	1786.14	J/mol×K	1258.63	Joback Calculated Property
Cp,gas	1796.22	J/mol×K	1302.53	Joback Calculated Property
Cp,gas	1803.86	J/mol×K	1346.43	Joback Calculated Property

Similar Compounds

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

Sources

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

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