Chemical Properties of l-Leucine, n-pentafluoropropionyl-, hexyl ester

InChI

InChI=1S/C15H24F5NO3/c1-4-5-6-7-8-24-12(22)11(9-10(2)3)21-13(23)14(16,17)15(18,19)20/h10-11H,4-9H2,1-3H3,(H,21,23)

InChI Key

VMSSYCPBVNSDGF-UHFFFAOYSA-N

Formula

C15H24F5NO3

SMILES

CCCCCCOC(=O)C(CC(C)C)NC(=O)C(F)(F)C(F)(F)F

Molecular Weight¹

361.35

• 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.
• 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
ΔfusH°	39.20	kJ/mol	Joback Calculated Property
log10WS	-5.05		Relay (1.0) Calculated Property
logPoct/wat	3.838		Crippen Calculated Property
McVol	250.050	ml/mol	McGowan Calculated Property
Inp	[1545.00; 1545.00]
Inp	1545.00		NIST
Inp	1545.00		NIST
Tboil	523.13	K	Relay (1.0) Calculated Property
Tfus	300.46	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[394.58; 866.58]	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			-1.04400e+00
Coefficient B			1.74466e+00
Coefficient C			-1.15950e-03
Coefficient D			2.82460e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	394.58	J/mol×K	273.00	Calculated Property
Cp,gas	483.56	J/mol×K	353.78	Calculated Property
Cp,gas	561.33	J/mol×K	434.56	Calculated Property
Cp,gas	628.77	J/mol×K	515.33	Calculated Property
Cp,gas	686.77	J/mol×K	596.11	Calculated Property
Cp,gas	736.24	J/mol×K	676.89	Calculated Property
Cp,gas	778.06	J/mol×K	757.67	Calculated Property
Cp,gas	813.13	J/mol×K	838.44	Calculated Property
Cp,gas	842.33	J/mol×K	919.22	Calculated Property
Cp,gas	866.58	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to l-Leucine, n-pentafluoropropionyl-, hexyl 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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