Chemical Properties of DL-Alanine, N-methyl-N-hexyloxycarbonyl-, heptadecyl ester

InChI

InChI=1S/C28H55NO4/c1-5-7-9-11-12-13-14-15-16-17-18-19-20-21-23-24-32-27(30)26(3)29(4)28(31)33-25-22-10-8-6-2/h26H,5-25H2,1-4H3

InChI Key

IBDGTEUJBCCJNS-UHFFFAOYSA-N

Formula

C28H55NO4

SMILES

CCCCCCCCCCCCCCCCCOC(=O)C(C)N(C)C(=O)OCCCCCC

Molecular Weight¹

469.74

• 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	1.2981		Relay (1.0) Calculated Property
ΔfG°	-174.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-1197.34	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	73.35	kJ/mol	Joback Calculated Property
ΔvapH°	134.00	kJ/mol	Relay (1.0) Calculated Property
IE	9.09	eV	Relay (1.0) Calculated Property
log10WS	-7.36		Relay (1.0) Calculated Property
logPoct/wat	8.438		Crippen Calculated Property
McVol	430.240	ml/mol	McGowan Calculated Property
Pc	689.61	kPa	Joback Calculated Property
Inp	[3076.00; 3076.00]
Inp	3076.00		NIST
Inp	3076.00		NIST
Tboil	660.71	K	Relay (1.0) Calculated Property
Tc	853.25	K	Relay (1.0) Calculated Property
Tfus	311.81	K	Relay (1.0) Calculated Property
Vc	1.655	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1520.21; 1627.96]	J/mol×K	[1004.62; 1249.72]
Cp,gas	1520.21	J/mol×K	1004.62	Joback Calculated Property
Cp,gas	1543.11	J/mol×K	1045.47	Joback Calculated Property
Cp,gas	1563.91	J/mol×K	1086.32	Joback Calculated Property
Cp,gas	1582.70	J/mol×K	1127.17	Joback Calculated Property
Cp,gas	1599.58	J/mol×K	1168.02	Joback Calculated Property
Cp,gas	1614.63	J/mol×K	1208.87	Joback Calculated Property
Cp,gas	1627.96	J/mol×K	1249.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Alanine, N-methyl-N-hexyloxycarbonyl-, heptadecyl ester.

Sources

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

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