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

InChI

InChI=1S/C20H30FNO3/c1-4-5-6-7-8-9-14-25-20(24)18(15(2)3)22-19(23)16-10-12-17(21)13-11-16/h10-13,15,18H,4-9,14H2,1-3H3,(H,22,23)

InChI Key

OAQJXTOVVWZRMA-UHFFFAOYSA-N

Formula

C20H30FNO3

SMILES

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

Molecular Weight¹

351.46

• 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°	-252.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-741.65	kJ/mol	Joback Calculated Property
ΔfusH°	46.73	kJ/mol	Joback Calculated Property
ΔvapH°	83.80	kJ/mol	Joback Calculated Property
log10WS	-5.90		Crippen Calculated Property
logPoct/wat	4.484		Crippen Calculated Property
McVol	289.660	ml/mol	McGowan Calculated Property
Pc	1342.74	kPa	Joback Calculated Property
Inp	[2442.00; 2442.00]
Inp	2442.00		NIST
Inp	2442.00		NIST
Tboil	867.38	K	Joback Calculated Property
Tc	1070.37	K	Joback Calculated Property
Tfus	499.44	K	Joback Calculated Property
Vc	1.119	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[916.27; 993.81]	J/mol×K	[867.38; 1070.37]
Cp,gas	916.27	J/mol×K	867.38	Joback Calculated Property
Cp,gas	931.88	J/mol×K	901.21	Joback Calculated Property
Cp,gas	946.37	J/mol×K	935.04	Joback Calculated Property
Cp,gas	959.76	J/mol×K	968.87	Joback Calculated Property
Cp,gas	972.11	J/mol×K	1002.70	Joback Calculated Property
Cp,gas	983.44	J/mol×K	1036.54	Joback Calculated Property
Cp,gas	993.81	J/mol×K	1070.37	Joback Calculated Property

Similar Compounds

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

Sources

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

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