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

InChI

InChI=1S/C17H25NO4/c1-11(2)10-22-17(20)15(12(3)4)18-16(19)13-8-6-7-9-14(13)21-5/h6-9,11-12,15H,10H2,1-5H3,(H,18,19)

InChI Key

LTTONTFWPMOCJC-UHFFFAOYSA-N

Formula

C17H25NO4

SMILES

COc1ccccc1C(=O)NC(C(=O)OCC(C)C)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°	-190.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-621.12	kJ/mol	Joback Calculated Property
ΔfusH°	33.54	kJ/mol	Joback Calculated Property
ΔvapH°	79.96	kJ/mol	Joback Calculated Property
log10WS	-3.78		Crippen Calculated Property
logPoct/wat	2.649		Crippen Calculated Property
McVol	251.490	ml/mol	McGowan Calculated Property
Pc	1728.90	kPa	Joback Calculated Property
Inp	[2258.00; 2258.00]
Inp	2258.00		NIST
Inp	2258.00		NIST
Tboil	821.45	K	Joback Calculated Property
Tc	1031.66	K	Joback Calculated Property
Tfus	472.27	K	Joback Calculated Property
Vc	0.945	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[763.20; 836.87]	J/mol×K	[821.45; 1031.66]
Cp,gas	763.20	J/mol×K	821.45	Joback Calculated Property
Cp,gas	778.34	J/mol×K	856.48	Joback Calculated Property
Cp,gas	792.31	J/mol×K	891.52	Joback Calculated Property
Cp,gas	805.13	J/mol×K	926.55	Joback Calculated Property
Cp,gas	816.81	J/mol×K	961.59	Joback Calculated Property
Cp,gas	827.39	J/mol×K	996.62	Joback Calculated Property
Cp,gas	836.87	J/mol×K	1031.66	Joback Calculated Property

Similar Compounds

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

Sources

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

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