Chemical Properties of L-Valine, N-heptafluorobutyryl-, isobutyl ester

InChI

InChI=1S/C13H18F7NO3/c1-6(2)5-24-9(22)8(7(3)4)21-10(23)11(14,15)12(16,17)13(18,19)20/h6-8H,5H2,1-4H3,(H,21,23)

InChI Key

DVJZJVCXAFDQLN-UHFFFAOYSA-N

Formula

C13H18F7NO3

SMILES

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

Molecular Weight¹

369.28

Other Names

• Val, isobutyl ester, HFB
• Val, iso-Bu, HFB

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[366.77; 779.54]	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			-1.31990e+01
Coefficient B			1.70998e+00
Coefficient C			-1.25850e-03
Coefficient D			3.41260e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	366.77	J/mol×K	273.00	Calculated Property
Cp,gas	449.35	J/mol×K	353.78	Calculated Property
Cp,gas	520.23	J/mol×K	434.56	Calculated Property
Cp,gas	580.50	J/mol×K	515.33	Calculated Property
Cp,gas	631.22	J/mol×K	596.11	Calculated Property
Cp,gas	673.49	J/mol×K	676.89	Calculated Property
Cp,gas	708.37	J/mol×K	757.67	Calculated Property
Cp,gas	736.96	J/mol×K	838.44	Calculated Property
Cp,gas	760.32	J/mol×K	919.22	Calculated Property
Cp,gas	779.54	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-heptafluorobutyryl-, isobutyl ester.

Sources

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

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