Chemical Properties of Glutaric acid, monoamide, N-(2,4-dimethoxyphenyl)-, butyl ester

InChI

InChI=1S/C17H25NO5/c1-4-5-11-23-17(20)8-6-7-16(19)18-14-10-9-13(21-2)12-15(14)22-3/h9-10,12H,4-8,11H2,1-3H3,(H,18,19)

InChI Key

YZUOPVZSYFYAHV-UHFFFAOYSA-N

Formula

C17H25NO5

SMILES

CCCCOC(=O)CCCC(=O)Nc1ccc(OC)cc1OC

Molecular Weight¹

323.39

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-874.75	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.49	kJ/mol	Joback Calculated Property
ΔvapH°	102.07	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.24		Relay (1.0) Calculated Property
logPoct/wat	3.156		Crippen Calculated Property
McVol	257.360	ml/mol	McGowan Calculated Property
Inp	[3061.00; 3061.00]
Inp	3061.00		NIST
Inp	3061.00		NIST
Tboil	653.05	K	Relay (1.0) Calculated Property
Tc	876.47	K	Relay (1.0) Calculated Property
Tfus	343.07	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[783.28; 851.45]	J/mol×K	[832.30; 1034.32]
Cp,gas	783.28	J/mol×K	832.30	Joback Calculated Property
Cp,gas	797.52	J/mol×K	865.97	Joback Calculated Property
Cp,gas	810.60	J/mol×K	899.64	Joback Calculated Property
Cp,gas	822.54	J/mol×K	933.31	Joback Calculated Property
Cp,gas	833.32	J/mol×K	966.98	Joback Calculated Property
Cp,gas	842.96	J/mol×K	1000.65	Joback Calculated Property
Cp,gas	851.45	J/mol×K	1034.32	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, monoamide, N-(2,4-dimethoxyphenyl)-, butyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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