Chemical Properties of L-Valine, N-(2-methoxybenzoyl)-, butyl ester

InChI

InChI=1S/C17H25NO4/c1-5-6-11-22-17(20)15(12(2)3)18-16(19)13-9-7-8-10-14(13)21-4/h7-10,12,15H,5-6,11H2,1-4H3,(H,18,19)

InChI Key

KWUGBJFEGZJCJL-UHFFFAOYSA-N

Formula

C17H25NO4

SMILES

CCCCOC(=O)C(NC(=O)c1ccccc1OC)C(C)C

Molecular Weight¹

307.38

• 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).
• 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
ΔfG°	-188.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-615.84	kJ/mol	Joback Calculated Property
ΔfusH°	37.06	kJ/mol	Joback Calculated Property
ΔvapH°	80.35	kJ/mol	Joback Calculated Property
log10WS	-4.02		Crippen Calculated Property
logPoct/wat	2.793		Crippen Calculated Property
McVol	251.490	ml/mol	McGowan Calculated Property
Pc	1717.45	kPa	Joback Calculated Property
Inp	[2306.00; 2306.00]
Inp	2306.00		NIST
Inp	2306.00		NIST
Tboil	821.89	K	Joback Calculated Property
Tc	1029.57	K	Joback Calculated Property
Tfus	487.27	K	Joback Calculated Property
Vc	0.951	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[762.65; 835.86]	J/mol×K	[821.89; 1029.57]
Cp,gas	762.65	J/mol×K	821.89	Joback Calculated Property
Cp,gas	777.62	J/mol×K	856.50	Joback Calculated Property
Cp,gas	791.45	J/mol×K	891.12	Joback Calculated Property
Cp,gas	804.18	J/mol×K	925.73	Joback Calculated Property
Cp,gas	815.81	J/mol×K	960.34	Joback Calculated Property
Cp,gas	826.36	J/mol×K	994.96	Joback Calculated Property
Cp,gas	835.86	J/mol×K	1029.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(2-methoxybenzoyl)-, butyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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