Chemical Properties of Glutaric acid, monoamide, N-(2-methoxyphenyl)-, isobutyl ester

InChI

InChI=1S/C16H23NO4/c1-12(2)11-21-16(19)10-6-9-15(18)17-13-7-4-5-8-14(13)20-3/h4-5,7-8,12H,6,9-11H2,1-3H3,(H,17,18)

InChI Key

UZCVZQPLSPWJGH-UHFFFAOYSA-N

Formula

C16H23NO4

SMILES

COc1ccccc1NC(=O)CCCC(=O)OCC(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°	-194.27	kJ/mol	Joback Calculated Property
ΔfH°gas	-589.92	kJ/mol	Joback Calculated Property
ΔfusH°	38.00	kJ/mol	Joback Calculated Property
ΔvapH°	78.51	kJ/mol	Joback Calculated Property
log10WS	-3.35		Crippen Calculated Property
logPoct/wat	3.003		Crippen Calculated Property
McVol	237.400	ml/mol	McGowan Calculated Property
Pc	1849.92	kPa	Joback Calculated Property
Inp	[2606.00; 2606.00]
Inp	2606.00		NIST
Inp	2606.00		NIST
Tboil	799.45	K	Joback Calculated Property
Tc	1005.61	K	Joback Calculated Property
Tfus	491.00	K	Joback Calculated Property
Vc	0.900	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[705.23; 777.16]	J/mol×K	[799.45; 1005.61]
Cp,gas	705.23	J/mol×K	799.45	Joback Calculated Property
Cp,gas	719.81	J/mol×K	833.81	Joback Calculated Property
Cp,gas	733.34	J/mol×K	868.17	Joback Calculated Property
Cp,gas	745.82	J/mol×K	902.53	Joback Calculated Property
Cp,gas	757.27	J/mol×K	936.89	Joback Calculated Property
Cp,gas	767.71	J/mol×K	971.25	Joback Calculated Property
Cp,gas	777.16	J/mol×K	1005.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, monoamide, N-(2-methoxyphenyl)-, isobutyl ester.

Sources

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

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