Chemical Properties of Succinic acid, 6-chlorohexyl 4-cyanophenyl ester

InChI

InChI=1S/C17H20ClNO4/c18-11-3-1-2-4-12-22-16(20)9-10-17(21)23-15-7-5-14(13-19)6-8-15/h5-8H,1-4,9-12H2

InChI Key

YOKNTAJUAZKDJU-UHFFFAOYSA-N

Formula

C17H20ClNO4

SMILES

N#Cc1ccc(OC(=O)CCC(=O)OCCCCCCCl)cc1

Molecular Weight¹

337.80

• 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).
• Δ_vapH° : Enthalpy of vaporization 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.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-646.21	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.88	kJ/mol	Joback Calculated Property
ΔvapH°	108.45	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	3.586		Crippen Calculated Property
McVol	255.130	ml/mol	McGowan Calculated Property
Inp	[2743.00; 2743.00]
Inp	2743.00		NIST
Inp	2743.00		NIST
Tfus	327.89	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[741.59; 792.39]	J/mol×K	[876.17; 1089.90]
Cp,gas	741.59	J/mol×K	876.17	Joback Calculated Property
Cp,gas	752.81	J/mol×K	911.79	Joback Calculated Property
Cp,gas	762.90	J/mol×K	947.41	Joback Calculated Property
Cp,gas	771.88	J/mol×K	983.03	Joback Calculated Property
Cp,gas	779.78	J/mol×K	1018.65	Joback Calculated Property
Cp,gas	786.60	J/mol×K	1054.28	Joback Calculated Property
Cp,gas	792.39	J/mol×K	1089.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 6-chlorohexyl 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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