Chemical Properties of Diglycolic acid, 2,3-dichlorophenyl isohexyl ester

InChI

InChI=1S/C16H20Cl2O5/c1-11(2)5-4-8-22-14(19)9-21-10-15(20)23-13-7-3-6-12(17)16(13)18/h3,6-7,11H,4-5,8-10H2,1-2H3

InChI Key

BSJSIFBVBFFULB-UHFFFAOYSA-N

Formula

C16H20Cl2O5

SMILES

CC(C)CCCOC(=O)COCC(=O)Oc1cccc(Cl)c1Cl

Molecular Weight¹

363.24

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	45.26	kJ/mol	Joback Calculated Property
logPoct/wat	3.895		Crippen Calculated Property
McVol	257.770	ml/mol	McGowan Calculated Property
Inp	[3018.00; 3018.00]
Inp	3018.00		NIST
Inp	3018.00		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, 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	[367.32; 771.97]	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			8.34550e+01
Coefficient B			1.17264e+00
Coefficient C			-4.87520e-04
Coefficient D			3.40000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	367.32	J/mol×K	273.00	Calculated Property
Cp,gas	437.44	J/mol×K	353.78	Calculated Property
Cp,gas	501.25	J/mol×K	434.56	Calculated Property
Cp,gas	558.75	J/mol×K	515.33	Calculated Property
Cp,gas	609.96	J/mol×K	596.11	Calculated Property
Cp,gas	654.89	J/mol×K	676.89	Calculated Property
Cp,gas	693.54	J/mol×K	757.67	Calculated Property
Cp,gas	725.93	J/mol×K	838.44	Calculated Property
Cp,gas	752.07	J/mol×K	919.22	Calculated Property
Cp,gas	771.97	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005717; 0.0000650]	Pa×s	[473.27; 716.63]	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			-1.38689e+01
Coefficient B			3.02989e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			473.27
Temperature range, max.			716.63
η	0.0005717	Pa×s	473.27	Calculated Property
η	0.0004045	Pa×s	500.31	Calculated Property
η	0.0002965	Pa×s	527.35	Calculated Property
η	0.0002240	Pa×s	554.39	Calculated Property
η	0.0001738	Pa×s	581.43	Calculated Property
η	0.0001378	Pa×s	608.47	Calculated Property
η	0.0001115	Pa×s	635.51	Calculated Property
η	0.0000918	Pa×s	662.55	Calculated Property
η	0.0000767	Pa×s	689.59	Calculated Property
η	0.0000650	Pa×s	716.63	Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, 2,3-dichlorophenyl isohexyl 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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