Chemical Properties of Glycine, N-methyl-n-butoxycarbonyl-, isobutyl ester

InChI

InChI=1S/C12H23NO4/c1-5-6-7-16-12(15)13(4)8-11(14)17-9-10(2)3/h10H,5-9H2,1-4H3

InChI Key

SVMHROZNKGYSEX-UHFFFAOYSA-N

Formula

C12H23NO4

SMILES

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

Molecular Weight¹

245.32

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

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-882.91	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.07	kJ/mol	Joback Calculated Property
ΔvapH°	76.42	kJ/mol	Relay (1.0) Calculated Property
IE	9.08	eV	Relay (1.0) Calculated Property
log10WS	-2.01		Relay (1.0) Calculated Property
logPoct/wat	2.054		Crippen Calculated Property
McVol	204.800	ml/mol	McGowan Calculated Property
Pc	1804.63	kPa	Joback Calculated Property
Inp	[1546.00; 1546.00]
Inp	1546.00		NIST
Inp	1546.00		NIST
Tboil	553.66	K	Relay (1.0) Calculated Property
Tc	723.18	K	Relay (1.0) Calculated Property
Tfus	236.59	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[542.03; 624.79]	J/mol×K	[602.60; 776.58]
Cp,gas	542.03	J/mol×K	602.60	Joback Calculated Property
Cp,gas	557.70	J/mol×K	631.60	Joback Calculated Property
Cp,gas	572.61	J/mol×K	660.59	Joback Calculated Property
Cp,gas	586.76	J/mol×K	689.59	Joback Calculated Property
Cp,gas	600.17	J/mol×K	718.59	Joback Calculated Property
Cp,gas	612.85	J/mol×K	747.59	Joback Calculated Property
Cp,gas	624.79	J/mol×K	776.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glycine, N-methyl-n-butoxycarbonyl-, 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.
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