Chemical Properties of Glutaric acid, 3-chlorophenyl 4-cyanophenyl ester

InChI

InChI=1S/C18H14ClNO4/c19-14-3-1-4-16(11-14)24-18(22)6-2-5-17(21)23-15-9-7-13(12-20)8-10-15/h1,3-4,7-11H,2,5-6H2

InChI Key

QPXWOKARMRSKFW-UHFFFAOYSA-N

Formula

C18H14ClNO4

SMILES

N#Cc1ccc(OC(=O)CCCC(=O)Oc2cccc(Cl)c2)cc1

Molecular Weight¹

343.76

• 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

Property	Value	Unit	Source
ΔfusH°	44.12	kJ/mol	Joback Calculated Property
IE	8.95	eV	Relay (1.0) Calculated Property
logPoct/wat	3.893		Crippen Calculated Property
McVol	245.460	ml/mol	McGowan Calculated Property
Inp	[2880.00; 2880.00]
Inp	2880.00		NIST
Inp	2880.00		NIST
Tboil	688.93	K	Relay (1.0) Calculated Property
Tfus	345.73	K	Relay (1.0) Calculated Property

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[691.40; 725.02]	J/mol×K	[930.71; 1170.28]
Cp,gas	691.40	J/mol×K	930.71	Joback Calculated Property
Cp,gas	700.19	J/mol×K	970.64	Joback Calculated Property
Cp,gas	707.65	J/mol×K	1010.57	Joback Calculated Property
Cp,gas	713.83	J/mol×K	1050.50	Joback Calculated Property
Cp,gas	718.76	J/mol×K	1090.43	Joback Calculated Property
Cp,gas	722.48	J/mol×K	1130.36	Joback Calculated Property
Cp,gas	725.02	J/mol×K	1170.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-chlorophenyl 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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