Chemical Properties of Glutaric acid, monoamide, N-(2-methoxybenzyl)-, ethyl ester

InChI

InChI=1S/C15H21NO4/c1-3-20-15(18)10-6-9-14(17)16-11-12-7-4-5-8-13(12)19-2/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,16,17)

InChI Key

YZDWVEKAOSYWDU-UHFFFAOYSA-N

Formula

C15H21NO4

SMILES

CCOC(=O)CCCC(=O)NCc1ccccc1OC

Molecular Weight¹

279.34

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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
ΔfusH°	40.51	kJ/mol	Joback Calculated Property
log10WS	-2.11		Relay (1.0) Calculated Property
logPoct/wat	2.045		Crippen Calculated Property
McVol	223.310	ml/mol	McGowan Calculated Property
Inp	[2336.00; 2336.00]
Inp	2336.00		NIST
Inp	2336.00		NIST
Tboil	631.14	K	Relay (1.0) Calculated Property
Tc	841.41	K	Relay (1.0) Calculated Property
Tfus	345.89	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[643.85; 714.71]	J/mol×K	[759.14; 961.85]
Cp,gas	643.85	J/mol×K	759.14	Joback Calculated Property
Cp,gas	658.15	J/mol×K	792.92	Joback Calculated Property
Cp,gas	671.43	J/mol×K	826.71	Joback Calculated Property
Cp,gas	683.72	J/mol×K	860.49	Joback Calculated Property
Cp,gas	695.02	J/mol×K	894.28	Joback Calculated Property
Cp,gas	705.34	J/mol×K	928.06	Joback Calculated Property
Cp,gas	714.71	J/mol×K	961.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, monoamide, N-(2-methoxybenzyl)-, ethyl 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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