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

InChI

InChI=1S/C15H20FNO3/c1-4-9-20-15(19)13(10(2)3)17-14(18)11-5-7-12(16)8-6-11/h5-8,10,13H,4,9H2,1-3H3,(H,17,18)

InChI Key

AINAVOQEOAFYPN-UHFFFAOYSA-N

Formula

C15H20FNO3

SMILES

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

Molecular Weight¹

281.32

• 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°	-294.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-638.45	kJ/mol	Joback Calculated Property
ΔfusH°	33.78	kJ/mol	Joback Calculated Property
ΔvapH°	72.67	kJ/mol	Joback Calculated Property
log10WS	-3.81		Crippen Calculated Property
logPoct/wat	2.533		Crippen Calculated Property
McVol	219.210	ml/mol	McGowan Calculated Property
Pc	1977.07	kPa	Joback Calculated Property
Inp	[1961.00; 1961.00]
Inp	1961.00		NIST
Inp	1961.00		NIST
Tboil	752.98	K	Joback Calculated Property
Tc	957.68	K	Joback Calculated Property
Tfus	443.09	K	Joback Calculated Property
Vc	0.839	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[630.29; 702.30]	J/mol×K	[752.98; 957.68]
Cp,gas	630.29	J/mol×K	752.98	Joback Calculated Property
Cp,gas	644.65	J/mol×K	787.10	Joback Calculated Property
Cp,gas	658.03	J/mol×K	821.21	Joback Calculated Property
Cp,gas	670.45	J/mol×K	855.33	Joback Calculated Property
Cp,gas	681.96	J/mol×K	889.45	Joback Calculated Property
Cp,gas	692.56	J/mol×K	923.57	Joback Calculated Property
Cp,gas	702.30	J/mol×K	957.68	Joback Calculated Property

Similar Compounds

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

Sources

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

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