Chemical Properties of Fumaric acid, monoamide, N-(2-ethylphenyl)-, 2-pentyl ester

InChI

InChI=1S/C17H23NO3/c1-4-8-13(3)21-17(20)12-11-16(19)18-15-10-7-6-9-14(15)5-2/h6-7,9-13H,4-5,8H2,1-3H3,(H,18,19)/b12-11+

InChI Key

AIXXNEVYBPOHAY-VAWYXSNFSA-N

Formula

C17H23NO3

SMILES

CCCC(C)OC(=O)C=CC(=O)Nc1ccccc1CC

Molecular Weight¹

289.37

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	41.18	kJ/mol	Joback Calculated Property
logPoct/wat	3.476		Crippen Calculated Property
McVol	241.320	ml/mol	McGowan Calculated Property
Inp	[2400.00; 2400.00]
Inp	2400.00		NIST
Inp	2400.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, 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, Log10 of Water solubility in mol/l 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[330.54; 778.78]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.64770e+01
Coefficient B			1.49976e+00
Coefficient C			-8.87460e-04
Coefficient D			1.82960e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	330.54	J/mol×K	273.00	Calculated Property
Cp,gas	411.13	J/mol×K	353.78	Calculated Property
Cp,gas	482.68	J/mol×K	434.56	Calculated Property
Cp,gas	545.76	J/mol×K	515.33	Calculated Property
Cp,gas	600.94	J/mol×K	596.11	Calculated Property
Cp,gas	648.82	J/mol×K	676.89	Calculated Property
Cp,gas	689.96	J/mol×K	757.67	Calculated Property
Cp,gas	724.95	J/mol×K	838.44	Calculated Property
Cp,gas	754.37	J/mol×K	919.22	Calculated Property
Cp,gas	778.78	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, monoamide, N-(2-ethylphenyl)-, 2-pentyl 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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