Chemical Properties of Glutaric acid, 2,2-dichloroethyl 2,6-dichlorophenyl ester

InChI

InChI=1S/C13H12Cl4O4/c14-8-3-1-4-9(15)13(8)21-12(19)6-2-5-11(18)20-7-10(16)17/h1,3-4,10H,2,5-7H2

InChI Key

XQNLWRQHXBETDZ-UHFFFAOYSA-N

Formula

C13H12Cl4O4

SMILES

O=C(CCCC(=O)Oc1c(Cl)cccc1Cl)OCC(Cl)Cl

Molecular Weight¹

374.04

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	44.69	kJ/mol	Joback Calculated Property
IE	9.29	eV	Relay (1.0) Calculated Property
logPoct/wat	4.416		Crippen Calculated Property
McVol	234.110	ml/mol	McGowan Calculated Property
Inp	[2448.00; 2448.00]
Inp	2448.00		NIST
Inp	2448.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, 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	[315.08; 615.24]	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			8.64640e+01
Coefficient B			9.64400e-01
Coefficient C			-4.76120e-04
Coefficient D			4.05000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	315.08	J/mol×K	273.00	Calculated Property
Cp,gas	369.85	J/mol×K	353.78	Calculated Property
Cp,gas	418.96	J/mol×K	434.56	Calculated Property
Cp,gas	462.55	J/mol×K	515.33	Calculated Property
Cp,gas	500.74	J/mol×K	596.11	Calculated Property
Cp,gas	533.67	J/mol×K	676.89	Calculated Property
Cp,gas	561.45	J/mol×K	757.67	Calculated Property
Cp,gas	584.22	J/mol×K	838.44	Calculated Property
Cp,gas	602.11	J/mol×K	919.22	Calculated Property
Cp,gas	615.24	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007293; 0.0000920]	Pa×s	[477.07; 714.98]	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			-1.34446e+01
Coefficient B			2.96796e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			477.07
Temperature range, max.			714.98
η	0.0007293	Pa×s	477.07	Calculated Property
η	0.0005261	Pa×s	503.50	Calculated Property
η	0.0003921	Pa×s	529.94	Calculated Property
η	0.0003005	Pa×s	556.37	Calculated Property
η	0.0002359	Pa×s	582.81	Calculated Property
η	0.0001891	Pa×s	609.24	Calculated Property
η	0.0001545	Pa×s	635.67	Calculated Property
η	0.0001282	Pa×s	662.11	Calculated Property
η	0.0001079	Pa×s	688.54	Calculated Property
η	0.0000920	Pa×s	714.98	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2-dichloroethyl 2,6-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

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