Chemical Properties of Glutaric acid, 2,4,6-trichlorophenyl 2,5-dichlorophenyl ester

InChI

InChI=1S/C17H11Cl5O4/c18-9-4-5-11(20)14(8-9)25-15(23)2-1-3-16(24)26-17-12(21)6-10(19)7-13(17)22/h4-8H,1-3H2

InChI Key

MTYDSDSOIRJTGF-UHFFFAOYSA-N

Formula

C17H11Cl5O4

SMILES

O=C(CCCC(=O)Oc1c(Cl)cc(Cl)cc1Cl)Oc1cc(Cl)ccc1Cl

Molecular Weight¹

456.53

• 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°	55.65	kJ/mol	Joback Calculated Property
IE	8.56	eV	Relay (1.0) Calculated Property
log10WS	-7.21		Relay (1.0) Calculated Property
logPoct/wat	6.635		Crippen Calculated Property
McVol	278.950	ml/mol	McGowan Calculated Property
Inp	[3117.00; 3117.00]
Inp	3117.00		NIST
Inp	3117.00		NIST
Tboil	649.85	K	Relay (1.0) Calculated Property
Tfus	354.06	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	[696.87; 716.36]	J/mol×K	[970.41; 1215.58]
Cp,gas	696.87	J/mol×K	970.41	Joback Calculated Property
Cp,gas	703.35	J/mol×K	1011.27	Joback Calculated Property
Cp,gas	708.50	J/mol×K	1052.13	Joback Calculated Property
Cp,gas	712.36	J/mol×K	1093.00	Joback Calculated Property
Cp,gas	714.94	J/mol×K	1133.86	Joback Calculated Property
Cp,gas	716.27	J/mol×K	1174.72	Joback Calculated Property
Cp,gas	716.36	J/mol×K	1215.58	Joback Calculated Property
η	[0.0000322; 0.0002071]	Pa×s	[631.05; 970.41]
η	0.0002071	Pa×s	631.05	Joback Calculated Property
η	0.0001337	Pa×s	687.61	Joback Calculated Property
η	0.0000922	Pa×s	744.17	Joback Calculated Property
η	0.0000671	Pa×s	800.73	Joback Calculated Property
η	0.0000508	Pa×s	857.29	Joback Calculated Property
η	0.0000399	Pa×s	913.85	Joback Calculated Property
η	0.0000322	Pa×s	970.41	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,4,6-trichlorophenyl 2,5-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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