Chemical Properties of Diglycolic acid, di(2,6-dichlorophenyl) ester

InChI

InChI=1S/C16H10Cl4O5/c17-9-3-1-4-10(18)15(9)24-13(21)7-23-8-14(22)25-16-11(19)5-2-6-12(16)20/h1-6H,7-8H2

InChI Key

ZPQQCOKUFJXGTG-UHFFFAOYSA-N

Formula

C16H10Cl4O5

SMILES

O=C(COCC(=O)Oc1c(Cl)cccc1Cl)Oc1c(Cl)cccc1Cl

Molecular Weight¹

424.06

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	50.44	kJ/mol	Joback Calculated Property
IE	8.49	eV	Relay (1.0) Calculated Property
log10WS	-5.78		Relay (1.0) Calculated Property
logPoct/wat	4.828		Crippen Calculated Property
McVol	258.490	ml/mol	McGowan Calculated Property
Inp	[3508.00; 3508.00]
Inp	3508.00		NIST
Inp	3508.00		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 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	[342.29; 663.37]	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			1.05612e+02
Coefficient B			9.82400e-01
Coefficient C			-4.22240e-04
Coefficient D			-2.40000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	342.29	J/mol×K	273.00	Calculated Property
Cp,gas	400.21	J/mol×K	353.78	Calculated Property
Cp,gas	452.59	J/mol×K	434.56	Calculated Property
Cp,gas	499.41	J/mol×K	515.33	Calculated Property
Cp,gas	540.68	J/mol×K	596.11	Calculated Property
Cp,gas	576.38	J/mol×K	676.89	Calculated Property
Cp,gas	606.51	J/mol×K	757.67	Calculated Property
Cp,gas	631.06	J/mol×K	838.44	Calculated Property
Cp,gas	650.01	J/mol×K	919.22	Calculated Property
Cp,gas	663.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002210; 0.0000514]	Pa×s	[599.57; 818.89]	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			-1.38641e+01
Coefficient B			3.26561e+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.			599.57
Temperature range, max.			818.89
η	0.0002210	Pa×s	599.57	Calculated Property
η	0.0001786	Pa×s	623.94	Calculated Property
η	0.0001467	Pa×s	648.31	Calculated Property
η	0.0001222	Pa×s	672.68	Calculated Property
η	0.0001032	Pa×s	697.05	Calculated Property
η	0.0000881	Pa×s	721.42	Calculated Property
η	0.0000760	Pa×s	745.78	Calculated Property
η	0.0000661	Pa×s	770.15	Calculated Property
η	0.0000581	Pa×s	794.52	Calculated Property
η	0.0000514	Pa×s	818.89	Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, di(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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