Chemical Properties of L-Valine, N-(3-fluoro-4-trifluoromethylbenzoyl)-, propyl ester

InChI

InChI=1S/C16H19F4NO3/c1-4-7-24-15(23)13(9(2)3)21-14(22)10-5-6-11(12(17)8-10)16(18,19)20/h5-6,8-9,13H,4,7H2,1-3H3,(H,21,22)

InChI Key

AQGIALRAOANYIM-UHFFFAOYSA-N

Formula

C16H19F4NO3

SMILES

CCCOC(=O)C(NC(=O)c1ccc(C(F)(F)F)c(F)c1)C(C)C

Molecular Weight¹

349.32

• 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°	-877.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-1267.64	kJ/mol	Joback Calculated Property
ΔfusH°	37.80	kJ/mol	Joback Calculated Property
ΔvapH°	71.81	kJ/mol	Joback Calculated Property
log10WS	-4.91		Crippen Calculated Property
logPoct/wat	3.552		Crippen Calculated Property
McVol	238.610	ml/mol	McGowan Calculated Property
Pc	1631.17	kPa	Joback Calculated Property
Inp	[1814.00; 1814.00]
Inp	1814.00		NIST
Inp	1814.00		NIST
Tboil	775.42	K	Joback Calculated Property
Tc	968.98	K	Joback Calculated Property
Tfus	471.07	K	Joback Calculated Property
Vc	0.938	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[709.57; 776.36]	J/mol×K	[775.42; 968.98]
Cp,gas	709.57	J/mol×K	775.42	Joback Calculated Property
Cp,gas	722.86	J/mol×K	807.68	Joback Calculated Property
Cp,gas	735.23	J/mol×K	839.94	Joback Calculated Property
Cp,gas	746.73	J/mol×K	872.20	Joback Calculated Property
Cp,gas	757.39	J/mol×K	904.46	Joback Calculated Property
Cp,gas	767.26	J/mol×K	936.72	Joback Calculated Property
Cp,gas	776.36	J/mol×K	968.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(3-fluoro-4-trifluoromethylbenzoyl)-, propyl ester.

Sources

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

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