Chemical Properties of L-Valine, N-(2,5-difluorobenzoyl)-, ethyl ester

InChI

InChI=1S/C14H17F2NO3/c1-4-20-14(19)12(8(2)3)17-13(18)10-7-9(15)5-6-11(10)16/h5-8,12H,4H2,1-3H3,(H,17,18)

InChI Key

FKVQBAMMONGJND-UHFFFAOYSA-N

Formula

C14H17F2NO3

SMILES

CCOC(=O)C(NC(=O)c1cc(F)ccc1F)C(C)C

Molecular Weight¹

285.29

• 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	0.6612		Relay (1.0) Calculated Property
ΔfG°	-507.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-915.83	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.88	kJ/mol	Joback Calculated Property
ΔvapH°	84.90	kJ/mol	Relay (1.0) Calculated Property
IE	8.87	eV	Relay (1.0) Calculated Property
log10WS	-4.03		Relay (1.0) Calculated Property
logPoct/wat	2.282		Crippen Calculated Property
McVol	206.890	ml/mol	McGowan Calculated Property
Pc	2041.91	kPa	Joback Calculated Property
Inp	[1817.00; 1817.00]
Inp	1817.00		NIST
Inp	1817.00		NIST
Tboil	569.66	K	Relay (1.0) Calculated Property
Tc	792.93	K	Relay (1.0) Calculated Property
Tfus	369.17	K	Relay (1.0) Calculated Property
Vc	0.734	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[582.83; 650.04]	J/mol×K	[734.35; 934.70]
Cp,gas	582.83	J/mol×K	734.35	Joback Calculated Property
Cp,gas	596.16	J/mol×K	767.74	Joback Calculated Property
Cp,gas	608.62	J/mol×K	801.13	Joback Calculated Property
Cp,gas	620.22	J/mol×K	834.52	Joback Calculated Property
Cp,gas	630.98	J/mol×K	867.92	Joback Calculated Property
Cp,gas	640.91	J/mol×K	901.31	Joback Calculated Property
Cp,gas	650.04	J/mol×K	934.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(2,5-difluorobenzoyl)-, ethyl ester.

Sources

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

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