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

InChI

InChI=1S/C16H23NO4/c1-5-10-21-16(19)14(11(2)3)17-15(18)12-8-6-7-9-13(12)20-4/h6-9,11,14H,5,10H2,1-4H3,(H,17,18)

InChI Key

DDHZEEMBYBDWJU-UHFFFAOYSA-N

Formula

C16H23NO4

SMILES

CCCOC(=O)C(NC(=O)c1ccccc1OC)C(C)C

Molecular Weight¹

293.36

• 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°	-196.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-595.20	kJ/mol	Joback Calculated Property
ΔfusH°	34.48	kJ/mol	Joback Calculated Property
ΔvapH°	78.12	kJ/mol	Joback Calculated Property
log10WS	-3.60		Crippen Calculated Property
logPoct/wat	2.403		Crippen Calculated Property
McVol	237.400	ml/mol	McGowan Calculated Property
Pc	1862.72	kPa	Joback Calculated Property
Inp	[2208.00; 2208.00]
Inp	2208.00		NIST
Inp	2208.00		NIST
Tboil	799.01	K	Joback Calculated Property
Tc	1007.86	K	Joback Calculated Property
Tfus	476.00	K	Joback Calculated Property
Vc	0.894	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[705.79; 778.26]	J/mol×K	[799.01; 1007.86]
Cp,gas	705.79	J/mol×K	799.01	Joback Calculated Property
Cp,gas	720.56	J/mol×K	833.82	Joback Calculated Property
Cp,gas	734.23	J/mol×K	868.63	Joback Calculated Property
Cp,gas	746.82	J/mol×K	903.43	Joback Calculated Property
Cp,gas	758.34	J/mol×K	938.24	Joback Calculated Property
Cp,gas	768.82	J/mol×K	973.05	Joback Calculated Property
Cp,gas	778.26	J/mol×K	1007.86	Joback Calculated Property

Similar Compounds

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

Sources

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

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