Chemical Properties of L-Valine, N-(5-fluoro-2-trifluoromethyl)-, pentyl ester

InChI

InChI=1S/C18H23F4NO3/c1-4-5-6-9-26-17(25)15(11(2)3)23-16(24)13-10-12(19)7-8-14(13)18(20,21)22/h7-8,10-11,15H,4-6,9H2,1-3H3,(H,23,24)

InChI Key

AFLJIOVWFKRJEF-UHFFFAOYSA-N

Formula

C18H23F4NO3

SMILES

CCCCCOC(=O)C(NC(=O)c1cc(F)ccc1C(F)(F)F)C(C)C

Molecular Weight¹

377.37

• 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°	-860.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-1308.92	kJ/mol	Joback Calculated Property
ΔfusH°	42.98	kJ/mol	Joback Calculated Property
ΔvapH°	76.26	kJ/mol	Joback Calculated Property
log10WS	-5.75		Crippen Calculated Property
logPoct/wat	4.332		Crippen Calculated Property
McVol	266.790	ml/mol	McGowan Calculated Property
Pc	1404.84	kPa	Joback Calculated Property
Inp	[2055.00; 2055.00]
Inp	2055.00		NIST
Inp	2055.00		NIST
Tboil	821.18	K	Joback Calculated Property
Tc	1015.63	K	Joback Calculated Property
Tfus	493.61	K	Joback Calculated Property
Vc	1.050	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[822.16; 892.11]	J/mol×K	[821.18; 1015.63]
Cp,gas	822.16	J/mol×K	821.18	Joback Calculated Property
Cp,gas	836.09	J/mol×K	853.59	Joback Calculated Property
Cp,gas	849.06	J/mol×K	886.00	Joback Calculated Property
Cp,gas	861.10	J/mol×K	918.40	Joback Calculated Property
Cp,gas	872.26	J/mol×K	950.81	Joback Calculated Property
Cp,gas	882.58	J/mol×K	983.22	Joback Calculated Property
Cp,gas	892.11	J/mol×K	1015.63	Joback Calculated Property

Similar Compounds

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

Sources

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

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