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

InChI

InChI=1S/C18H26FNO3/c1-4-5-6-7-12-23-18(22)16(13(2)3)20-17(21)14-8-10-15(19)11-9-14/h8-11,13,16H,4-7,12H2,1-3H3,(H,20,21)

InChI Key

FTDAJLFJNNUSNO-UHFFFAOYSA-N

Formula

C18H26FNO3

SMILES

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

Molecular Weight¹

323.40

• 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°	-269.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-700.37	kJ/mol	Joback Calculated Property
ΔfusH°	41.55	kJ/mol	Joback Calculated Property
ΔvapH°	79.34	kJ/mol	Joback Calculated Property
log10WS	-5.07		Crippen Calculated Property
logPoct/wat	3.704		Crippen Calculated Property
McVol	261.480	ml/mol	McGowan Calculated Property
Pc	1553.67	kPa	Joback Calculated Property
Inp	[2238.00; 2238.00]
Inp	2238.00		NIST
Inp	2238.00		NIST
Tboil	821.62	K	Joback Calculated Property
Tc	1023.37	K	Joback Calculated Property
Tfus	476.90	K	Joback Calculated Property
Vc	1.006	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[799.24; 874.96]	J/mol×K	[821.62; 1023.37]
Cp,gas	799.24	J/mol×K	821.62	Joback Calculated Property
Cp,gas	814.40	J/mol×K	855.24	Joback Calculated Property
Cp,gas	828.50	J/mol×K	888.87	Joback Calculated Property
Cp,gas	841.57	J/mol×K	922.49	Joback Calculated Property
Cp,gas	853.65	J/mol×K	956.12	Joback Calculated Property
Cp,gas	864.77	J/mol×K	989.74	Joback Calculated Property
Cp,gas	874.96	J/mol×K	1023.37	Joback Calculated Property

Similar Compounds

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

Sources

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

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