Chemical Properties of l-Valine, n-heptafluorobutyryl-, ethyl ester

InChI

InChI=1S/C11H14F7NO3/c1-4-22-7(20)6(5(2)3)19-8(21)9(12,13)10(14,15)11(16,17)18/h5-6H,4H2,1-3H3,(H,19,21)

InChI Key

HEAQWOQEFAYBNF-UHFFFAOYSA-N

Formula

C11H14F7NO3

SMILES

CCOC(=O)C(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(C)C

Molecular Weight¹

341.22

• 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	0.5941		Relay (1.0) Calculated Property
ΔfG°	-1591.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-2148.30	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.00	kJ/mol	Joback Calculated Property
ΔvapH°	69.01	kJ/mol	Relay (1.0) Calculated Property
IE	9.76	eV	Relay (1.0) Calculated Property
log10WS	-4.14		Relay (1.0) Calculated Property
logPoct/wat	2.523		Crippen Calculated Property
McVol	197.230	ml/mol	McGowan Calculated Property
Pc	1744.82	kPa	Joback Calculated Property
Inp	[1088.00; 1088.00]
Inp	1088.00		NIST
Inp	1088.00		NIST
Tboil	463.08	K	Relay (1.0) Calculated Property
Tc	614.38	K	Relay (1.0) Calculated Property
Tfus	310.71	K	Relay (1.0) Calculated Property
Vc	0.714	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[558.88; 622.13]	J/mol×K	[615.73; 780.94]
Cp,gas	558.88	J/mol×K	615.73	Joback Calculated Property
Cp,gas	571.23	J/mol×K	643.26	Joback Calculated Property
Cp,gas	582.80	J/mol×K	670.80	Joback Calculated Property
Cp,gas	593.64	J/mol×K	698.33	Joback Calculated Property
Cp,gas	603.78	J/mol×K	725.87	Joback Calculated Property
Cp,gas	613.27	J/mol×K	753.40	Joback Calculated Property
Cp,gas	622.13	J/mol×K	780.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Valine, n-heptafluorobutyryl-, ethyl ester.

Sources

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

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