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

InChI

InChI=1S/C15H19F2NO3/c1-4-7-21-15(20)13(9(2)3)18-14(19)11-8-10(16)5-6-12(11)17/h5-6,8-9,13H,4,7H2,1-3H3,(H,18,19)

InChI Key

XJQPJXHHOYNLMK-UHFFFAOYSA-N

Formula

C15H19F2NO3

SMILES

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

Molecular Weight¹

299.31

• 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	0.7112		Relay (1.0) Calculated Property
ΔfG°	-499.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-927.59	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.47	kJ/mol	Joback Calculated Property
ΔvapH°	84.06	kJ/mol	Relay (1.0) Calculated Property
IE	8.88	eV	Relay (1.0) Calculated Property
log10WS	-4.30		Relay (1.0) Calculated Property
logPoct/wat	2.672		Crippen Calculated Property
McVol	220.980	ml/mol	McGowan Calculated Property
Pc	1875.65	kPa	Joback Calculated Property
Inp	[1908.00; 1908.00]
Inp	1908.00		NIST
Inp	1908.00		NIST
Tboil	580.57	K	Relay (1.0) Calculated Property
Tc	799.54	K	Relay (1.0) Calculated Property
Tfus	359.60	K	Relay (1.0) Calculated Property
Vc	0.786	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[637.06; 706.08]	J/mol×K	[757.23; 956.14]
Cp,gas	637.06	J/mol×K	757.23	Joback Calculated Property
Cp,gas	650.77	J/mol×K	790.38	Joback Calculated Property
Cp,gas	663.57	J/mol×K	823.53	Joback Calculated Property
Cp,gas	675.48	J/mol×K	856.68	Joback Calculated Property
Cp,gas	686.53	J/mol×K	889.83	Joback Calculated Property
Cp,gas	696.72	J/mol×K	922.99	Joback Calculated Property
Cp,gas	706.08	J/mol×K	956.14	Joback Calculated Property

Similar Compounds

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

Sources

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

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