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

InChI

InChI=1S/C13H14Cl2O5/c1-2-6-19-11(16)7-18-8-12(17)20-10-5-3-4-9(14)13(10)15/h3-5H,2,6-8H2,1H3

InChI Key

KXDZFOXNMNCKKF-UHFFFAOYSA-N

Formula

C13H14Cl2O5

SMILES

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

Molecular Weight¹

321.15

• 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°	41.01	kJ/mol	Joback Calculated Property
logPoct/wat	2.869		Crippen Calculated Property
McVol	215.500	ml/mol	McGowan Calculated Property
Inp	[2676.00; 2676.00]
Inp	2676.00		NIST
Inp	2676.00		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	[303.99; 616.66]	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			8.78640e+01
Coefficient B			8.81720e-01
Coefficient C			-3.21120e-04
Coefficient D			-3.18000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	303.99	J/mol×K	273.00	Calculated Property
Cp,gas	358.20	J/mol×K	353.78	Calculated Property
Cp,gas	407.77	J/mol×K	434.56	Calculated Property
Cp,gas	452.61	J/mol×K	515.33	Calculated Property
Cp,gas	492.62	J/mol×K	596.11	Calculated Property
Cp,gas	527.70	J/mol×K	676.89	Calculated Property
Cp,gas	557.74	J/mol×K	757.67	Calculated Property
Cp,gas	582.65	J/mol×K	838.44	Calculated Property
Cp,gas	602.32	J/mol×K	919.22	Calculated Property
Cp,gas	616.66	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006763; 0.0000990]	Pa×s	[454.46; 670.56]	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			-1.32611e+01
Coefficient B			2.70959e+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.			454.46
Temperature range, max.			670.56
η	0.0006763	Pa×s	454.46	Calculated Property
η	0.0005014	Pa×s	478.47	Calculated Property
η	0.0003825	Pa×s	502.48	Calculated Property
η	0.0002991	Pa×s	526.49	Calculated Property
η	0.0002390	Pa×s	550.51	Calculated Property
η	0.0001946	Pa×s	574.52	Calculated Property
η	0.0001610	Pa×s	598.53	Calculated Property
η	0.0001352	Pa×s	622.54	Calculated Property
η	0.0001150	Pa×s	646.55	Calculated Property
η	0.0000990	Pa×s	670.56	Calculated Property

Similar Compounds

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