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_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	0.9802		Relay (1.0) Calculated Property
ΔfG°	-250.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-1017.71	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.04	kJ/mol	Joback Calculated Property
ΔvapH°	100.44	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	1153.78	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	787.94	K	Relay (1.0) Calculated Property
Tfus	275.58	K	Relay (1.0) Calculated Property
Vc	1.157	m3/kmol	Relay (1.0) 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

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

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