Chemical Properties of L-Valine, N-pentafluorobenzoyl-, ethyl ester

InChI

InChI=1S/C14H14F5NO3/c1-4-23-14(22)12(5(2)3)20-13(21)6-7(15)9(17)11(19)10(18)8(6)16/h5,12H,4H2,1-3H3,(H,20,21)

InChI Key

NNUIVGBCZUPDFL-UHFFFAOYSA-N

Formula

C14H14F5NO3

SMILES

CCOC(=O)C(NC(=O)c1c(F)c(F)c(F)c(F)c1F)C(C)C

Molecular Weight¹

339.26

• 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	0.7207		Relay (1.0) Calculated Property
ΔfG°	-1121.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-1336.12	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.95	kJ/mol	Joback Calculated Property
ΔvapH°	83.69	kJ/mol	Relay (1.0) Calculated Property
IE	9.25	eV	Relay (1.0) Calculated Property
log10WS	-5.56		Relay (1.0) Calculated Property
logPoct/wat	2.700		Crippen Calculated Property
McVol	212.200	ml/mol	McGowan Calculated Property
Pc	1746.28	kPa	Joback Calculated Property
Inp	[1738.00; 1738.00]
Inp	1738.00		NIST
Inp	1738.00		NIST
Tboil	547.00	K	Relay (1.0) Calculated Property
Tc	762.02	K	Relay (1.0) Calculated Property
Tfus	382.43	K	Relay (1.0) Calculated Property
Vc	0.763	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[602.94; 662.34]	J/mol×K	[747.10; 932.47]
Cp,gas	602.94	J/mol×K	747.10	Joback Calculated Property
Cp,gas	614.61	J/mol×K	777.99	Joback Calculated Property
Cp,gas	625.57	J/mol×K	808.89	Joback Calculated Property
Cp,gas	635.81	J/mol×K	839.78	Joback Calculated Property
Cp,gas	645.36	J/mol×K	870.68	Joback Calculated Property
Cp,gas	654.20	J/mol×K	901.57	Joback Calculated Property
Cp,gas	662.34	J/mol×K	932.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-pentafluorobenzoyl-, ethyl ester.

Sources

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

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