Chemical Properties of Succinic acid, di(4-cyanophenyl) ester

InChI

InChI=1S/C18H12N2O4/c19-11-13-1-5-15(6-2-13)23-17(21)9-10-18(22)24-16-7-3-14(12-20)4-8-16/h1-8H,9-10H2

InChI Key

ZSXZIPXJWLPCKL-UHFFFAOYSA-N

Formula

C18H12N2O4

SMILES

N#Cc1ccc(OC(=O)CCC(=O)Oc2ccc(C#N)cc2)cc1

Molecular Weight¹

320.30

• 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).
• 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

Property	Value	Unit	Source
ΔfH°gas	-260.46	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.43	kJ/mol	Joback Calculated Property
IE	9.08	eV	Relay (1.0) Calculated Property
logPoct/wat	2.721		Crippen Calculated Property
McVol	234.600	ml/mol	McGowan Calculated Property
Inp	[3292.00; 3292.00]
Inp	3292.00		NIST
Inp	3292.00		NIST
Tboil	683.71	K	Relay (1.0) Calculated Property
Tfus	454.84	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[673.24; 691.47]	J/mol×K	[995.36; 1242.95]
Cp,gas	673.24	J/mol×K	995.36	Joback Calculated Property
Cp,gas	679.49	J/mol×K	1036.63	Joback Calculated Property
Cp,gas	684.41	J/mol×K	1077.89	Joback Calculated Property
Cp,gas	688.02	J/mol×K	1119.16	Joback Calculated Property
Cp,gas	690.36	J/mol×K	1160.42	Joback Calculated Property
Cp,gas	691.47	J/mol×K	1201.69	Joback Calculated Property
Cp,gas	691.38	J/mol×K	1242.95	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, di(4-cyanophenyl) 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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