Chemical Properties of Isovalerylglycine, methyl ester

InChI

InChI=1S/C9H17NO3/c1-7(2)4-5-8(11)10-6-9(12)13-3/h7H,4-6H2,1-3H3,(H,10,11)

InChI Key

QTWNOLOFZKGWMY-UHFFFAOYSA-N

Formula

C9H17NO3

SMILES

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

Molecular Weight¹

187.24

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

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-670.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.61	kJ/mol	Joback Calculated Property
ΔvapH°	73.79	kJ/mol	Relay (1.0) Calculated Property
IE	9.35	eV	Relay (1.0) Calculated Property
log10WS	-1.41		Relay (1.0) Calculated Property
logPoct/wat	0.712		Crippen Calculated Property
McVol	156.660	ml/mol	McGowan Calculated Property
Pc	2517.59	kPa	Joback Calculated Property
Inp	[1308.00; 1308.00]
Inp	1308.00		NIST
Inp	1308.00		NIST
Tboil	520.38	K	Relay (1.0) Calculated Property
Tfus	285.92	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, 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	[388.58; 458.48]	J/mol×K	[567.34; 752.89]
Cp,gas	388.58	J/mol×K	567.34	Joback Calculated Property
Cp,gas	401.80	J/mol×K	598.26	Joback Calculated Property
Cp,gas	414.38	J/mol×K	629.19	Joback Calculated Property
Cp,gas	426.33	J/mol×K	660.11	Joback Calculated Property
Cp,gas	437.66	J/mol×K	691.04	Joback Calculated Property
Cp,gas	448.37	J/mol×K	721.96	Joback Calculated Property
Cp,gas	458.48	J/mol×K	752.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isovalerylglycine, methyl ester.

Sources

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

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