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

InChI

InChI=1S/C19H23F6NO3/c1-4-5-6-9-29-17(28)15(11(2)3)26-16(27)13-10-12(18(20,21)22)7-8-14(13)19(23,24)25/h7-8,10-11,15H,4-6,9H2,1-3H3,(H,26,27)

InChI Key

WXSJSZLVQDOZMR-UHFFFAOYSA-N

Formula

C19H23F6NO3

SMILES

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

Molecular Weight¹

427.38

• 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°	-1239.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-1730.53	kJ/mol	Joback Calculated Property
ΔfusH°	44.32	kJ/mol	Joback Calculated Property
ΔvapH°	75.56	kJ/mol	Joback Calculated Property
log10WS	-6.52		Crippen Calculated Property
logPoct/wat	5.212		Crippen Calculated Property
McVol	284.420	ml/mol	McGowan Calculated Property
Pc	1244.21	kPa	Joback Calculated Property
Inp	[1973.00; 1973.00]
Inp	1973.00		NIST
Inp	1973.00		NIST
Tboil	839.37	K	Joback Calculated Property
Tc	1032.48	K	Joback Calculated Property
Tfus	508.48	K	Joback Calculated Property
Vc	1.131	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[895.75; 964.37]	J/mol×K	[839.37; 1032.48]
Cp,gas	895.75	J/mol×K	839.37	Joback Calculated Property
Cp,gas	909.36	J/mol×K	871.56	Joback Calculated Property
Cp,gas	922.02	J/mol×K	903.74	Joback Calculated Property
Cp,gas	933.79	J/mol×K	935.93	Joback Calculated Property
Cp,gas	944.73	J/mol×K	968.11	Joback Calculated Property
Cp,gas	954.90	J/mol×K	1000.30	Joback Calculated Property
Cp,gas	964.37	J/mol×K	1032.48	Joback Calculated Property

Similar Compounds

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

Sources

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

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