Chemical Properties of Glycine, N-methyl-N-propoxycarbonyl-, isobutyl ester

InChI

InChI=1S/C11H21NO4/c1-5-6-15-11(14)12(4)7-10(13)16-8-9(2)3/h9H,5-8H2,1-4H3

InChI Key

DXXCMXSQTVQWQM-UHFFFAOYSA-N

Formula

C11H21NO4

SMILES

CCCOC(=O)N(C)CC(=O)OCC(C)C

Molecular Weight¹

231.29

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-863.57	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.32	kJ/mol	Joback Calculated Property
ΔvapH°	71.36	kJ/mol	Relay (1.0) Calculated Property
IE	9.08	eV	Relay (1.0) Calculated Property
logPoct/wat	1.664		Crippen Calculated Property
McVol	190.710	ml/mol	McGowan Calculated Property
Pc	2111.94	kPa	Joback Calculated Property
Inp	[1467.00; 1467.00]
Inp	1467.00		NIST
Inp	1467.00		NIST
Tboil	545.84	K	Relay (1.0) Calculated Property
Tc	703.79	K	Relay (1.0) Calculated Property
Tfus	246.15	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[502.99; 580.67]	J/mol×K	[615.66; 795.73]
Cp,gas	502.99	J/mol×K	615.66	Joback Calculated Property
Cp,gas	517.61	J/mol×K	645.67	Joback Calculated Property
Cp,gas	531.55	J/mol×K	675.68	Joback Calculated Property
Cp,gas	544.83	J/mol×K	705.69	Joback Calculated Property
Cp,gas	557.43	J/mol×K	735.70	Joback Calculated Property
Cp,gas	569.38	J/mol×K	765.72	Joback Calculated Property
Cp,gas	580.67	J/mol×K	795.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glycine, N-methyl-N-propoxycarbonyl-, isobutyl 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.