Chemical Properties of N-(tert-Butoxycarbonyl)glycine, methyl ester

InChI

InChI=1S/C8H15NO4/c1-8(2,3)13-7(11)9-5-6(10)12-4/h5H2,1-4H3,(H,9,11)

InChI Key

PHUZOEOLWIHIKH-UHFFFAOYSA-N

Formula

C8H15NO4

SMILES

COC(=O)CNC(=O)OC(C)(C)C

Molecular Weight¹

189.21

• 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).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-848.98	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.90	kJ/mol	Joback Calculated Property
ΔvapH°	72.18	kJ/mol	Relay (1.0) Calculated Property
log10WS	-1.31		Relay (1.0) Calculated Property
logPoct/wat	0.684		Crippen Calculated Property
McVol	148.440	ml/mol	McGowan Calculated Property
Pc	2646.11	kPa	Joback Calculated Property
Inp	[1274.90; 1274.90]
Inp	1274.90		NIST
Inp	1274.90		NIST
Tboil	498.62	K	Relay (1.0) Calculated Property
Tfus	286.82	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[364.84; 432.20]	J/mol×K	[546.02; 736.58]
Cp,gas	364.84	J/mol×K	546.02	Joback Calculated Property
Cp,gas	377.81	J/mol×K	577.78	Joback Calculated Property
Cp,gas	390.07	J/mol×K	609.54	Joback Calculated Property
Cp,gas	401.62	J/mol×K	641.30	Joback Calculated Property
Cp,gas	412.49	J/mol×K	673.06	Joback Calculated Property
Cp,gas	422.68	J/mol×K	704.82	Joback Calculated Property
Cp,gas	432.20	J/mol×K	736.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to N-(tert-Butoxycarbonyl)glycine, methyl 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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