Chemical Properties of L-Valine, N-(4-fluorobenzoyl)-, pentyl ester

InChI

InChI=1S/C17H24FNO3/c1-4-5-6-11-22-17(21)15(12(2)3)19-16(20)13-7-9-14(18)10-8-13/h7-10,12,15H,4-6,11H2,1-3H3,(H,19,20)

InChI Key

HUFGZGSFZHYOJX-UHFFFAOYSA-N

Formula

C17H24FNO3

SMILES

CCCCCOC(=O)C(NC(=O)c1ccc(F)cc1)C(C)C

Molecular Weight¹

309.38

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-278.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-679.73	kJ/mol	Joback Calculated Property
ΔfusH°	38.96	kJ/mol	Joback Calculated Property
ΔvapH°	77.12	kJ/mol	Joback Calculated Property
log10WS	-4.65		Crippen Calculated Property
logPoct/wat	3.313		Crippen Calculated Property
McVol	247.390	ml/mol	McGowan Calculated Property
Pc	1678.28	kPa	Joback Calculated Property
Inp	[2142.00; 2142.00]
Inp	2142.00		NIST
Inp	2142.00		NIST
Tboil	798.74	K	Joback Calculated Property
Tc	1000.88	K	Joback Calculated Property
Tfus	465.63	K	Joback Calculated Property
Vc	0.951	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[741.98; 816.64]	J/mol×K	[798.74; 1000.88]
Cp,gas	741.98	J/mol×K	798.74	Joback Calculated Property
Cp,gas	756.90	J/mol×K	832.43	Joback Calculated Property
Cp,gas	770.78	J/mol×K	866.12	Joback Calculated Property
Cp,gas	783.67	J/mol×K	899.81	Joback Calculated Property
Cp,gas	795.58	J/mol×K	933.50	Joback Calculated Property
Cp,gas	806.56	J/mol×K	967.19	Joback Calculated Property
Cp,gas	816.64	J/mol×K	1000.88	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(4-fluorobenzoyl)-, pentyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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