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

• 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	[2213.00; 2213.00]
Inp	2213.00		NIST
Inp	2213.00		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-decyloxycarbonyl-, butyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.