Chemical Properties of Glutaric acid, 2,3-dichlorophenyl 4-cyanophenyl ester

InChI

InChI=1S/C18H13Cl2NO4/c19-14-3-1-4-15(18(14)20)25-17(23)6-2-5-16(22)24-13-9-7-12(11-21)8-10-13/h1,3-4,7-10H,2,5-6H2

InChI Key

HFFRPOYEXYUJQW-UHFFFAOYSA-N

Formula

C18H13Cl2NO4

SMILES

N#Cc1ccc(OC(=O)CCCC(=O)Oc2cccc(Cl)c2Cl)cc1

Molecular Weight¹

378.21

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-61.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-332.40	kJ/mol	Joback Calculated Property
ΔfusH°	44.76	kJ/mol	Joback Calculated Property
ΔvapH°	99.76	kJ/mol	Joback Calculated Property
log10WS	-5.89		Crippen Calculated Property
logPoct/wat	4.546		Crippen Calculated Property
McVol	257.700	ml/mol	McGowan Calculated Property
Pc	1832.54	kPa	Joback Calculated Property
Inp	[3105.00; 3105.00]
Inp	3105.00		NIST
Inp	3105.00		NIST
Tboil	1009.06	K	Joback Calculated Property
Tc	1256.32	K	Joback Calculated Property
Tfus	652.17	K	Joback Calculated Property
Vc	1.000	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[711.63; 737.23]	J/mol×K	[1009.06; 1256.32]
Cp,gas	711.63	J/mol×K	1009.06	Joback Calculated Property
Cp,gas	718.93	J/mol×K	1050.27	Joback Calculated Property
Cp,gas	724.98	J/mol×K	1091.48	Joback Calculated Property
Cp,gas	729.81	J/mol×K	1132.69	Joback Calculated Property
Cp,gas	733.44	J/mol×K	1173.90	Joback Calculated Property
Cp,gas	735.90	J/mol×K	1215.11	Joback Calculated Property
Cp,gas	737.23	J/mol×K	1256.32	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,3-dichlorophenyl 4-cyanophenyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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