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

InChI

InChI=1S/C32H61NO4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-36-31(34)28(5)33(6)32(35)37-30-25-27(4)22-23-29(30)26(2)3/h26-30H,7-25H2,1-6H3

InChI Key

FGHXSSIIXJENQB-UHFFFAOYSA-N

Formula

C32H61NO4

SMILES

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

Molecular Weight¹

523.83

• 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	1.2387		Relay (1.0) Calculated Property
ΔfG°	-134.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-1237.94	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	74.16	kJ/mol	Joback Calculated Property
ΔvapH°	145.51	kJ/mol	Relay (1.0) Calculated Property
IE	9.02	eV	Relay (1.0) Calculated Property
log10WS	-8.14		Relay (1.0) Calculated Property
logPoct/wat	9.319		Crippen Calculated Property
McVol	475.740	ml/mol	McGowan Calculated Property
Pc	611.17	kPa	Joback Calculated Property
Inp	[3350.00; 3350.00]
Inp	3350.00		NIST
Inp	3350.00		NIST
Tboil	697.48	K	Relay (1.0) Calculated Property
Tc	914.20	K	Relay (1.0) Calculated Property
Tfus	306.93	K	Relay (1.0) Calculated Property
Vc	1.750	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1784.16; 1866.31]	J/mol×K	[1105.91; 1382.73]
Cp,gas	1784.16	J/mol×K	1105.91	Joback Calculated Property
Cp,gas	1805.35	J/mol×K	1152.05	Joback Calculated Property
Cp,gas	1823.35	J/mol×K	1198.18	Joback Calculated Property
Cp,gas	1838.31	J/mol×K	1244.32	Joback Calculated Property
Cp,gas	1850.37	J/mol×K	1290.46	Joback Calculated Property
Cp,gas	1859.65	J/mol×K	1336.59	Joback Calculated Property
Cp,gas	1866.31	J/mol×K	1382.73	Joback Calculated Property

Similar Compounds

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

Sources

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

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