Chemical Properties of Glycine, N-methyl-N-ethoxycarbonyl-, butyl ester

InChI

InChI=1S/C10H19NO4/c1-4-6-7-15-9(12)8-11(3)10(13)14-5-2/h4-8H2,1-3H3

InChI Key

XINPHGFQZAKDQN-UHFFFAOYSA-N

Formula

C10H19NO4

SMILES

CCCCOC(=O)CN(C)C(=O)OCC

Molecular Weight¹

217.27

• 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	0.7008		Relay (1.0) Calculated Property
ΔfH°gas	-834.25	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.41	kJ/mol	Joback Calculated Property
ΔvapH°	75.19	kJ/mol	Relay (1.0) Calculated Property
IE	9.00	eV	Relay (1.0) Calculated Property
log10WS	-1.38		Relay (1.0) Calculated Property
logPoct/wat	1.418		Crippen Calculated Property
McVol	176.620	ml/mol	McGowan Calculated Property
Pc	2123.64	kPa	Joback Calculated Property
Inp	[1444.00; 1444.00]
Inp	1444.00		NIST
Inp	1444.00		NIST
Tboil	536.65	K	Relay (1.0) Calculated Property
Tc	707.58	K	Relay (1.0) Calculated Property
Tfus	232.53	K	Relay (1.0) Calculated Property
Vc	0.686	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	[441.06; 516.59]	J/mol×K	[557.28; 730.66]
Cp,gas	441.06	J/mol×K	557.28	Joback Calculated Property
Cp,gas	455.26	J/mol×K	586.18	Joback Calculated Property
Cp,gas	468.81	J/mol×K	615.07	Joback Calculated Property
Cp,gas	481.71	J/mol×K	643.97	Joback Calculated Property
Cp,gas	493.97	J/mol×K	672.87	Joback Calculated Property
Cp,gas	505.60	J/mol×K	701.77	Joback Calculated Property
Cp,gas	516.59	J/mol×K	730.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glycine, N-methyl-N-ethoxycarbonyl-, butyl ester.

Sources

• Cheméo Relay (1.0)
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.