Chemical Properties of l-Leucine, N-pivaloyl-, methyl ester

InChI

InChI=1S/C12H23NO3/c1-8(2)7-9(10(14)16-6)13-11(15)12(3,4)5/h8-9H,7H2,1-6H3,(H,13,15)

InChI Key

MCDZFMUYBNTHSQ-UHFFFAOYSA-N

Formula

C12H23NO3

SMILES

COC(=O)C(CC(C)C)NC(=O)C(C)(C)C

Molecular Weight¹

229.32

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	23.44	kJ/mol	Joback Calculated Property
log10WS	-2.50		Relay (1.0) Calculated Property
logPoct/wat	1.736		Crippen Calculated Property
McVol	198.930	ml/mol	McGowan Calculated Property
Inp	[1405.00; 1405.00]
Inp	1405.00		NIST
Inp	1405.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[291.40; 674.98]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-4.29900e+00
Coefficient B			1.27492e+00
Coefficient C			-7.42500e-04
Coefficient D			1.46860e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	291.40	J/mol×K	273.00	Calculated Property
Cp,gas	360.31	J/mol×K	353.78	Calculated Property
Cp,gas	421.56	J/mol×K	434.56	Calculated Property
Cp,gas	475.62	J/mol×K	515.33	Calculated Property
Cp,gas	522.96	J/mol×K	596.11	Calculated Property
Cp,gas	564.03	J/mol×K	676.89	Calculated Property
Cp,gas	599.30	J/mol×K	757.67	Calculated Property
Cp,gas	629.24	J/mol×K	838.44	Calculated Property
Cp,gas	654.31	J/mol×K	919.22	Calculated Property
Cp,gas	674.98	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to l-Leucine, N-pivaloyl-, methyl 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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