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

InChI

InChI=1S/C13H11Cl5O4/c14-7-4-9(16)10(5-8(7)15)22-13(20)3-1-2-12(19)21-6-11(17)18/h4-5,11H,1-3,6H2

InChI Key

LSFWTKYGIGZMPJ-UHFFFAOYSA-N

Formula

C13H11Cl5O4

SMILES

O=C(CCCC(=O)Oc1cc(Cl)c(Cl)cc1Cl)OCC(Cl)Cl

Molecular Weight¹

408.49

• 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°	48.50	kJ/mol	Joback Calculated Property
logPoct/wat	5.069		Crippen Calculated Property
McVol	246.350	ml/mol	McGowan Calculated Property
Inp	[2660.00; 2660.00]
Inp	2660.00		NIST
Inp	2660.00		NIST
Tfus	351.31	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	[331.04; 620.47]	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			1.13654e+02
Coefficient B			9.11700e-01
Coefficient C			-4.29480e-04
Coefficient D			2.46000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	331.04	J/mol×K	273.00	Calculated Property
Cp,gas	383.53	J/mol×K	353.78	Calculated Property
Cp,gas	430.75	J/mol×K	434.56	Calculated Property
Cp,gas	472.79	J/mol×K	515.33	Calculated Property
Cp,gas	509.72	J/mol×K	596.11	Calculated Property
Cp,gas	541.62	J/mol×K	676.89	Calculated Property
Cp,gas	568.57	J/mol×K	757.67	Calculated Property
Cp,gas	590.64	J/mol×K	838.44	Calculated Property
Cp,gas	607.92	J/mol×K	919.22	Calculated Property
Cp,gas	620.47	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004943; 0.0000807]	Pa×s	[519.51; 747.31]	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			-1.35565e+01
Coefficient B			3.08802e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			519.51
Temperature range, max.			747.31
η	0.0004943	Pa×s	519.51	Calculated Property
η	0.0003750	Pa×s	544.82	Calculated Property
η	0.0002916	Pa×s	570.13	Calculated Property
η	0.0002316	Pa×s	595.44	Calculated Property
η	0.0001875	Pa×s	620.76	Calculated Property
η	0.0001543	Pa×s	646.07	Calculated Property
η	0.0001288	Pa×s	671.38	Calculated Property
η	0.0001090	Pa×s	696.69	Calculated Property
η	0.0000933	Pa×s	722.00	Calculated Property
η	0.0000807	Pa×s	747.31	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2-dichloroethyl 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

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