Chemical Properties of Succinic acid, 4-cyanophenyl 2-methoxyethyl ester

InChI

InChI=1S/C14H15NO5/c1-18-8-9-19-13(16)6-7-14(17)20-12-4-2-11(10-15)3-5-12/h2-5H,6-9H2,1H3

InChI Key

WQRUEPQARURRPN-UHFFFAOYSA-N

Formula

C14H15NO5

SMILES

COCCOC(=O)CCC(=O)Oc1ccc(C#N)cc1

Molecular Weight¹

277.27

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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, 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	[297.22; 631.23]	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			6.38740e+01
Coefficient B			9.57420e-01
Coefficient C			-3.70760e-04
Coefficient D			-1.93000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	297.22	J/mol×K	273.00	Calculated Property
Cp,gas	355.33	J/mol×K	353.78	Calculated Property
Cp,gas	408.33	J/mol×K	434.56	Calculated Property
Cp,gas	456.16	J/mol×K	515.33	Calculated Property
Cp,gas	498.77	J/mol×K	596.11	Calculated Property
Cp,gas	536.08	J/mol×K	676.89	Calculated Property
Cp,gas	568.05	J/mol×K	757.67	Calculated Property
Cp,gas	594.60	J/mol×K	838.44	Calculated Property
Cp,gas	615.68	J/mol×K	919.22	Calculated Property
Cp,gas	631.23	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 4-cyanophenyl 2-methoxyethyl 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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