Chemical Properties of Glutaric acid, 2,3-dichlorophenyl 2,4,5-trichlorophenyl ester

InChI

InChI=1S/C17H11Cl5O4/c18-9-3-1-4-13(17(9)22)25-15(23)5-2-6-16(24)26-14-8-11(20)10(19)7-12(14)21/h1,3-4,7-8H,2,5-6H2

InChI Key

IGSBBTZEVWLIOR-UHFFFAOYSA-N

Formula

C17H11Cl5O4

SMILES

O=C(CCCC(=O)Oc1cccc(Cl)c1Cl)Oc1cc(Cl)c(Cl)cc1Cl

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).
• 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
ΔfusH°	55.65	kJ/mol	Joback Calculated Property
logPoct/wat	6.635		Crippen Calculated Property
McVol	278.950	ml/mol	McGowan Calculated Property
Inp	[3235.00; 3235.00]
Inp	3235.00		NIST
Inp	3235.00		NIST
Tfus	364.06	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[364.05; 701.69]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.06393e+02
Coefficient B			1.08790e+00
Coefficient C			-5.41000e-04
Coefficient D			4.84000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	364.05	J/mol×K	273.00	Calculated Property
Cp,gas	425.70	J/mol×K	353.78	Calculated Property
Cp,gas	480.96	J/mol×K	434.56	Calculated Property
Cp,gas	529.98	J/mol×K	515.33	Calculated Property
Cp,gas	572.91	J/mol×K	596.11	Calculated Property
Cp,gas	609.92	J/mol×K	676.89	Calculated Property
Cp,gas	641.14	J/mol×K	757.67	Calculated Property
Cp,gas	666.75	J/mol×K	838.44	Calculated Property
Cp,gas	686.88	J/mol×K	919.22	Calculated Property
Cp,gas	701.69	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002071; 0.0000524]	Pa×s	[631.05; 850.91]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.38033e+01
Coefficient B			3.35774e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			631.05
Temperature range, max.			850.91
η	0.0002071	Pa×s	631.05	Calculated Property
η	0.0001698	Pa×s	655.48	Calculated Property
η	0.0001413	Pa×s	679.91	Calculated Property
η	0.0001190	Pa×s	704.34	Calculated Property
η	0.0001015	Pa×s	728.76	Calculated Property
η	0.0000874	Pa×s	753.19	Calculated Property
η	0.0000760	Pa×s	777.62	Calculated Property
η	0.0000666	Pa×s	802.05	Calculated Property
η	0.0000588	Pa×s	826.48	Calculated Property
η	0.0000524	Pa×s	850.91	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,3-dichlorophenyl 2,4,5-trichlorophenyl 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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