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

InChI

InChI=1S/C18H24F3NO3/c1-4-5-8-11-25-17(24)15(12(2)3)22-16(23)13-9-6-7-10-14(13)18(19,20)21/h6-7,9-10,12,15H,4-5,8,11H2,1-3H3,(H,22,23)

InChI Key

FZUHNPIFVHWGHX-UHFFFAOYSA-N

Formula

C18H24F3NO3

SMILES

CCCCCOC(=O)C(NC(=O)c1ccccc1C(F)(F)F)C(C)C

Molecular Weight¹

359.38

• 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°	-656.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-1101.34	kJ/mol	Joback Calculated Property
ΔfusH°	40.29	kJ/mol	Joback Calculated Property
ΔvapH°	76.42	kJ/mol	Joback Calculated Property
log10WS	-5.42		Crippen Calculated Property
logPoct/wat	4.193		Crippen Calculated Property
McVol	265.020	ml/mol	McGowan Calculated Property
Pc	1470.23	kPa	Joback Calculated Property
Inp	[2141.00; 2141.00]
Inp	2141.00		NIST
Inp	2141.00		NIST
Tboil	816.93	K	Joback Calculated Property
Tc	1014.67	K	Joback Calculated Property
Tfus	480.50	K	Joback Calculated Property
Vc	1.032	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[815.56; 887.88]	J/mol×K	[816.93; 1014.67]
Cp,gas	815.56	J/mol×K	816.93	Joback Calculated Property
Cp,gas	829.97	J/mol×K	849.89	Joback Calculated Property
Cp,gas	843.37	J/mol×K	882.84	Joback Calculated Property
Cp,gas	855.81	J/mol×K	915.80	Joback Calculated Property
Cp,gas	867.34	J/mol×K	948.76	Joback Calculated Property
Cp,gas	878.01	J/mol×K	981.71	Joback Calculated Property
Cp,gas	887.88	J/mol×K	1014.67	Joback Calculated Property

Similar Compounds

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

Sources

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

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