Chemical Properties of Isobutyrylglycine, methyl ester

InChI

InChI=1S/C7H13NO3/c1-5(2)7(10)8-4-6(9)11-3/h5H,4H2,1-3H3,(H,8,10)

InChI Key

NZZLARRIBIFCBC-UHFFFAOYSA-N

Formula

C7H13NO3

SMILES

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

Molecular Weight¹

159.18

• 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	0.5373		Relay (1.0) Calculated Property
ΔfG°	-267.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-628.61	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.85	kJ/mol	Joback Calculated Property
ΔvapH°	66.40	kJ/mol	Relay (1.0) Calculated Property
IE	9.10	eV	Relay (1.0) Calculated Property
log10WS	-0.58		Relay (1.0) Calculated Property
logPoct/wat	-0.068		Crippen Calculated Property
McVol	128.480	ml/mol	McGowan Calculated Property
Pc	3228.31	kPa	Joback Calculated Property
Inp	[1207.00; 1207.00]
Inp	1207.00		NIST
Inp	1207.00		NIST
Tboil	492.19	K	Relay (1.0) Calculated Property
Tc	667.54	K	Relay (1.0) Calculated Property
Tfus	306.09	K	Relay (1.0) Calculated Property
Vc	0.472	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[300.32; 360.39]	J/mol×K	[539.45; 732.01]
Cp,gas	300.32	J/mol×K	539.45	Joback Calculated Property
Cp,gas	311.59	J/mol×K	571.54	Joback Calculated Property
Cp,gas	322.35	J/mol×K	603.64	Joback Calculated Property
Cp,gas	332.61	J/mol×K	635.73	Joback Calculated Property
Cp,gas	342.37	J/mol×K	667.82	Joback Calculated Property
Cp,gas	351.63	J/mol×K	699.92	Joback Calculated Property
Cp,gas	360.39	J/mol×K	732.01	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isobutyrylglycine, methyl ester.

Sources

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

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