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

InChI

InChI=1S/C28H53NO4/c1-7-8-9-10-11-12-13-14-15-16-17-20-32-27(30)24(5)29(6)28(31)33-26-21-23(4)18-19-25(26)22(2)3/h22-26H,7-21H2,1-6H3

InChI Key

VTQZFHBGLQQRRF-UHFFFAOYSA-N

Formula

C28H53NO4

SMILES

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

Molecular Weight¹

467.72

• 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	1.0954		Relay (1.0) Calculated Property
ΔfG°	-168.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-1158.21	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	63.80	kJ/mol	Joback Calculated Property
ΔvapH°	129.79	kJ/mol	Relay (1.0) Calculated Property
IE	8.87	eV	Relay (1.0) Calculated Property
log10WS	-6.90		Relay (1.0) Calculated Property
logPoct/wat	7.758		Crippen Calculated Property
McVol	419.380	ml/mol	McGowan Calculated Property
Pc	746.11	kPa	Joback Calculated Property
Inp	[2938.00; 2938.00]
Inp	2938.00		NIST
Inp	2938.00		NIST
Tboil	671.13	K	Relay (1.0) Calculated Property
Tc	886.01	K	Relay (1.0) Calculated Property
Tfus	297.33	K	Relay (1.0) Calculated Property
Vc	1.532	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1524.59; 1614.81]	J/mol×K	[1014.39; 1246.48]
Cp,gas	1524.59	J/mol×K	1014.39	Joback Calculated Property
Cp,gas	1545.01	J/mol×K	1053.07	Joback Calculated Property
Cp,gas	1563.20	J/mol×K	1091.75	Joback Calculated Property
Cp,gas	1579.20	J/mol×K	1130.44	Joback Calculated Property
Cp,gas	1593.10	J/mol×K	1169.12	Joback Calculated Property
Cp,gas	1604.95	J/mol×K	1207.80	Joback Calculated Property
Cp,gas	1614.81	J/mol×K	1246.48	Joback Calculated Property

Similar Compounds

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

Sources

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

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