Chemical Properties of DL-Alanine, N-methyl-N-decyloxycarbonyl-, butyl ester

InChI

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

InChI Key

ZBEFHQYKSCPJQQ-UHFFFAOYSA-N

Formula

C19H37NO4

SMILES

CCCCCCCCCCOC(=O)N(C)C(C)C(=O)OCCCC

Molecular Weight¹

343.50

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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	0.9802		Relay (1.0) Calculated Property
ΔfH°gas	-1017.71	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	53.20	kJ/mol	Joback Calculated Property
ΔvapH°	101.91	kJ/mol	Relay (1.0) Calculated Property
IE	8.82	eV	Relay (1.0) Calculated Property
log10WS	-4.55		Relay (1.0) Calculated Property
logPoct/wat	4.927		Crippen Calculated Property
McVol	303.430	ml/mol	McGowan Calculated Property
Pc	1092.10	kPa	Joback Calculated Property
Inp	[2213.00; 2213.00]
Inp	2213.00		NIST
Inp	2213.00		NIST
Tboil	599.94	K	Relay (1.0) Calculated Property
Tc	791.73	K	Relay (1.0) Calculated Property
Tfus	272.86	K	Relay (1.0) Calculated Property
Vc	1.160	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[935.47; 1030.04]	J/mol×K	[762.76; 939.44]
Cp,gas	935.47	J/mol×K	762.76	Joback Calculated Property
Cp,gas	953.81	J/mol×K	792.21	Joback Calculated Property
Cp,gas	971.08	J/mol×K	821.65	Joback Calculated Property
Cp,gas	987.32	J/mol×K	851.10	Joback Calculated Property
Cp,gas	1002.55	J/mol×K	880.54	Joback Calculated Property
Cp,gas	1016.78	J/mol×K	909.99	Joback Calculated Property
Cp,gas	1030.04	J/mol×K	939.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Alanine, N-methyl-N-decyloxycarbonyl-, butyl ester.

Sources

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

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