Chemical Properties of DL-Alanine, N-methyl-N-octyloxycarbonyl-, nonyl ester

InChI

InChI=1S/C22H43NO4/c1-5-7-9-11-13-15-16-18-26-21(24)20(3)23(4)22(25)27-19-17-14-12-10-8-6-2/h20H,5-19H2,1-4H3

InChI Key

IHDQRMZGNIHLAK-UHFFFAOYSA-N

Formula

C22H43NO4

SMILES

CCCCCCCCCOC(=O)C(C)N(C)C(=O)OCCCCCCCC

Molecular Weight¹

385.58

• 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°	-225.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-924.76	kJ/mol	Joback Calculated Property
ΔfusH°	57.81	kJ/mol	Joback Calculated Property
ΔvapH°	84.53	kJ/mol	Joback Calculated Property
log10WS	-6.42		Crippen Calculated Property
logPoct/wat	6.098		Crippen Calculated Property
McVol	345.700	ml/mol	McGowan Calculated Property
Pc	957.32	kPa	Joback Calculated Property
Inp	[2479.00; 2479.00]
Inp	2479.00		NIST
Inp	2479.00		NIST
Tboil	867.34	K	Joback Calculated Property
Tc	1061.87	K	Joback Calculated Property
Tfus	499.49	K	Joback Calculated Property
Vc	1.327	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1136.60; 1234.45]	J/mol×K	[867.34; 1061.87]
Cp,gas	1136.60	J/mol×K	867.34	Joback Calculated Property
Cp,gas	1155.94	J/mol×K	899.76	Joback Calculated Property
Cp,gas	1174.03	J/mol×K	932.18	Joback Calculated Property
Cp,gas	1190.89	J/mol×K	964.60	Joback Calculated Property
Cp,gas	1206.56	J/mol×K	997.03	Joback Calculated Property
Cp,gas	1221.06	J/mol×K	1029.45	Joback Calculated Property
Cp,gas	1234.45	J/mol×K	1061.87	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Alanine, N-methyl-N-octyloxycarbonyl-, nonyl ester.

Sources

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

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