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

InChI

InChI=1S/C17H13Cl3O4/c18-11-3-1-4-13(9-11)23-16(21)5-2-6-17(22)24-15-8-7-12(19)10-14(15)20/h1,3-4,7-10H,2,5-6H2

InChI Key

GSKAHLWCFJCOEJ-UHFFFAOYSA-N

Formula

C17H13Cl3O4

SMILES

O=C(CCCC(=O)Oc1ccc(Cl)cc1Cl)Oc1cccc(Cl)c1

Molecular Weight¹

387.65

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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°	48.03	kJ/mol	Joback Calculated Property
IE	8.44	eV	Relay (1.0) Calculated Property
log10WS	-6.02		Relay (1.0) Calculated Property
logPoct/wat	5.328		Crippen Calculated Property
McVol	254.470	ml/mol	McGowan Calculated Property
Inp	[2846.00; 2846.00]
Inp	2846.00		NIST
Inp	2846.00		NIST
Tboil	654.67	K	Relay (1.0) Calculated Property
Tfus	331.76	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 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	[667.04; 705.81]	J/mol×K	[885.59; 1123.59]
Cp,gas	667.04	J/mol×K	885.59	Joback Calculated Property
Cp,gas	676.64	J/mol×K	925.26	Joback Calculated Property
Cp,gas	684.95	J/mol×K	964.92	Joback Calculated Property
Cp,gas	691.98	J/mol×K	1004.59	Joback Calculated Property
Cp,gas	697.79	J/mol×K	1044.26	Joback Calculated Property
Cp,gas	702.38	J/mol×K	1083.92	Joback Calculated Property
Cp,gas	705.81	J/mol×K	1123.59	Joback Calculated Property
η	[0.0000433; 0.0003864]	Pa×s	[546.17; 885.59]
η	0.0003864	Pa×s	546.17	Joback Calculated Property
η	0.0002261	Pa×s	602.74	Joback Calculated Property
η	0.0001451	Pa×s	659.31	Joback Calculated Property
η	0.0000998	Pa×s	715.88	Joback Calculated Property
η	0.0000726	Pa×s	772.45	Joback Calculated Property
η	0.0000551	Pa×s	829.02	Joback Calculated Property
η	0.0000433	Pa×s	885.59	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-chlorophenyl 2,4-dichlorophenyl 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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