Chemical Properties of Leu, isopropyl ester

InChI

InChI=1S/C9H19NO2/c1-6(2)5-8(10)9(11)12-7(3)4/h6-8H,5,10H2,1-4H3

InChI Key

KDESEECZHLTGMH-UHFFFAOYSA-N

Formula

C9H19NO2

SMILES

CC(C)CC(N)C(=O)OC(C)C

Molecular Weight¹

173.25

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	16.48	kJ/mol	Joback Calculated Property
IE	8.46	eV	Relay (1.0) Calculated Property
logPoct/wat	1.311		Crippen Calculated Property
McVol	155.090	ml/mol	McGowan Calculated Property
Inp	[1212.00; 1220.00]
Inp	1220.00		NIST
Inp	1217.00		NIST
Inp	1212.00		NIST
Inp	1212.00		NIST
Tboil	442.95	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[385.51; 462.48]	J/mol×K	[552.82; 748.04]
Cp,gas	385.51	J/mol×K	552.82	Joback Calculated Property
Cp,gas	399.99	J/mol×K	585.36	Joback Calculated Property
Cp,gas	413.79	J/mol×K	617.89	Joback Calculated Property
Cp,gas	426.93	J/mol×K	650.43	Joback Calculated Property
Cp,gas	439.42	J/mol×K	682.97	Joback Calculated Property
Cp,gas	451.27	J/mol×K	715.51	Joback Calculated Property
Cp,gas	462.48	J/mol×K	748.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to Leu, isopropyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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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