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

InChI

InChI=1S/C19H37NO4/c1-5-7-9-11-12-14-15-23-18(21)17(3)20(4)19(22)24-16-13-10-8-6-2/h17H,5-16H2,1-4H3

InChI Key

JLWVQGJHFPISHH-UHFFFAOYSA-N

Formula

C19H37NO4

SMILES

CCCCCCCCOC(=O)C(C)N(C)C(=O)OCCCCCC

Molecular Weight¹

343.50

• 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°	-250.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-862.84	kJ/mol	Joback Calculated Property
ΔfusH°	50.04	kJ/mol	Joback Calculated Property
ΔvapH°	77.86	kJ/mol	Joback Calculated Property
log10WS	-5.16		Crippen Calculated Property
logPoct/wat	4.927		Crippen Calculated Property
McVol	303.430	ml/mol	McGowan Calculated Property
Pc	1153.78	kPa	Joback Calculated Property
Inp	[2221.00; 2221.00]
Inp	2221.00		NIST
Inp	2221.00		NIST
Tboil	798.70	K	Joback Calculated Property
Tc	981.66	K	Joback Calculated Property
Tfus	465.68	K	Joback Calculated Property
Vc	1.159	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[952.38; 1045.73]	J/mol×K	[798.70; 981.66]
Cp,gas	952.38	J/mol×K	798.70	Joback Calculated Property
Cp,gas	970.45	J/mol×K	829.19	Joback Calculated Property
Cp,gas	987.50	J/mol×K	859.69	Joback Calculated Property
Cp,gas	1003.53	J/mol×K	890.18	Joback Calculated Property
Cp,gas	1018.56	J/mol×K	920.67	Joback Calculated Property
Cp,gas	1032.62	J/mol×K	951.16	Joback Calculated Property
Cp,gas	1045.73	J/mol×K	981.66	Joback Calculated Property

Similar Compounds

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

Sources

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

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