Chemical Properties of L-Valine, N-(2-fluoro-5-trifluoromethylbenzoyl)-, hexyl ester

InChI

InChI=1S/C19H25F4NO3/c1-4-5-6-7-10-27-18(26)16(12(2)3)24-17(25)14-11-13(19(21,22)23)8-9-15(14)20/h8-9,11-12,16H,4-7,10H2,1-3H3,(H,24,25)

InChI Key

OEBXDMZGLHTUKW-UHFFFAOYSA-N

Formula

C19H25F4NO3

SMILES

CCCCCCOC(=O)C(NC(=O)c1cc(C(F)(F)F)ccc1F)C(C)C

Molecular Weight¹

391.40

• 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°	-852.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-1329.56	kJ/mol	Joback Calculated Property
ΔfusH°	45.57	kJ/mol	Joback Calculated Property
ΔvapH°	78.49	kJ/mol	Joback Calculated Property
log10WS	-6.17		Crippen Calculated Property
logPoct/wat	4.722		Crippen Calculated Property
McVol	280.880	ml/mol	McGowan Calculated Property
Pc	1308.95	kPa	Joback Calculated Property
Inp	[2143.00; 2143.00]
Inp	2143.00		NIST
Inp	2143.00		NIST
Tboil	844.06	K	Joback Calculated Property
Tc	1039.97	K	Joback Calculated Property
Tfus	504.88	K	Joback Calculated Property
Vc	1.105	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[879.77; 951.21]	J/mol×K	[844.06; 1039.97]
Cp,gas	879.77	J/mol×K	844.06	Joback Calculated Property
Cp,gas	894.02	J/mol×K	876.71	Joback Calculated Property
Cp,gas	907.27	J/mol×K	909.36	Joback Calculated Property
Cp,gas	919.57	J/mol×K	942.01	Joback Calculated Property
Cp,gas	930.96	J/mol×K	974.66	Joback Calculated Property
Cp,gas	941.49	J/mol×K	1007.32	Joback Calculated Property
Cp,gas	951.21	J/mol×K	1039.97	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(2-fluoro-5-trifluoromethylbenzoyl)-, hexyl ester.

Sources

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

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