Chemical Properties of L-Valine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, pentyl ester

InChI

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

InChI Key

OIGSBCCGJBQPBN-UHFFFAOYSA-N

Formula

C18H23F4NO3

SMILES

CCCCCOC(=O)C(NC(=O)c1ccc(F)cc1C(F)(F)F)C(C)C

Molecular Weight¹

377.37

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.8241		Relay (... Calculated Property
ΔfG°	-860.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-1457.96	kJ/mol	Relay (... Calculated Property
ΔfusH°	42.98	kJ/mol	Joback Calculated Property
ΔvapH°	88.17	kJ/mol	Relay (... Calculated Property
IE	9.00	eV	Relay (... Calculated Property
log10WS	-5.47		Relay (... 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	[2058.00; 2058.00]
Inp	2058.00		NIST
Inp	2058.00		NIST
Tboil	599.13	K	Relay (... Calculated Property
Tc	811.97	K	Relay (... Calculated Property
Tfus	360.87	K	Relay (... Calculated Property
Vc	0.958	m3/kmol	Relay (... 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-(4-fluoro-2-trifluoromethylbenzoyl)-, pentyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.