Chemical Properties of L-Valine, N-(3-trifluoromethylbenzoyl)-, hexyl ester

InChI

InChI=1S/C19H26F3NO3/c1-4-5-6-7-11-26-18(25)16(13(2)3)23-17(24)14-9-8-10-15(12-14)19(20,21)22/h8-10,12-13,16H,4-7,11H2,1-3H3,(H,23,24)

InChI Key

PSVJMVJIXOGTAB-UHFFFAOYSA-N

Formula

C19H26F3NO3

SMILES

CCCCCCOC(=O)C(NC(=O)c1cccc(C(F)(F)F)c1)C(C)C

Molecular Weight¹

373.41

• 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°	-648.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-1121.98	kJ/mol	Joback Calculated Property
ΔfusH°	42.88	kJ/mol	Joback Calculated Property
ΔvapH°	78.64	kJ/mol	Joback Calculated Property
log10WS	-5.84		Crippen Calculated Property
logPoct/wat	4.583		Crippen Calculated Property
McVol	279.110	ml/mol	McGowan Calculated Property
Pc	1367.69	kPa	Joback Calculated Property
Inp	[2170.00; 2170.00]
Inp	2170.00		NIST
Inp	2170.00		NIST
Tboil	839.81	K	Joback Calculated Property
Tc	1038.28	K	Joback Calculated Property
Tfus	491.77	K	Joback Calculated Property
Vc	1.087	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[873.23; 946.87]	J/mol×K	[839.81; 1038.28]
Cp,gas	873.23	J/mol×K	839.81	Joback Calculated Property
Cp,gas	887.90	J/mol×K	872.89	Joback Calculated Property
Cp,gas	901.55	J/mol×K	905.97	Joback Calculated Property
Cp,gas	914.22	J/mol×K	939.04	Joback Calculated Property
Cp,gas	925.96	J/mol×K	972.12	Joback Calculated Property
Cp,gas	936.83	J/mol×K	1005.20	Joback Calculated Property
Cp,gas	946.87	J/mol×K	1038.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(3-trifluoromethylbenzoyl)-, hexyl ester.

Sources

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

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