Chemical Properties of Diglycolic acid, ethyl 2,4,6-trichlorophenyl ester

InChI

InChI=1S/C12H11Cl3O5/c1-2-19-10(16)5-18-6-11(17)20-12-8(14)3-7(13)4-9(12)15/h3-4H,2,5-6H2,1H3

InChI Key

DGUZMZSNHKSTRQ-UHFFFAOYSA-N

Formula

C12H11Cl3O5

SMILES

CCOC(=O)COCC(=O)Oc1c(Cl)cc(Cl)cc1Cl

Molecular Weight¹

341.57

• 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°	42.23	kJ/mol	Joback Calculated Property
logPoct/wat	3.132		Crippen Calculated Property
McVol	213.650	ml/mol	McGowan Calculated Property
Inp	[2618.00; 2618.00]
Inp	2618.00		NIST
Inp	2618.00		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	[298.74; 570.30]	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			1.15963e+02
Coefficient B			7.34020e-01
Coefficient C			-2.20080e-04
Coefficient D			-5.96000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	298.74	J/mol×K	273.00	Calculated Property
Cp,gas	345.46	J/mol×K	353.78	Calculated Property
Cp,gas	388.49	J/mol×K	434.56	Calculated Property
Cp,gas	427.63	J/mol×K	515.33	Calculated Property
Cp,gas	462.69	J/mol×K	596.11	Calculated Property
Cp,gas	493.49	J/mol×K	676.89	Calculated Property
Cp,gas	519.84	J/mol×K	757.67	Calculated Property
Cp,gas	541.55	J/mol×K	838.44	Calculated Property
Cp,gas	558.44	J/mol×K	919.22	Calculated Property
Cp,gas	570.30	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005169; 0.0000981]	Pa×s	[485.63; 688.87]	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			-1.32004e+01
Coefficient B			2.73549e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			485.63
Temperature range, max.			688.87
η	0.0005169	Pa×s	485.63	Calculated Property
η	0.0004025	Pa×s	508.21	Calculated Property
η	0.0003201	Pa×s	530.79	Calculated Property
η	0.0002594	Pa×s	553.38	Calculated Property
η	0.0002137	Pa×s	575.96	Calculated Property
η	0.0001786	Pa×s	598.54	Calculated Property
η	0.0001513	Pa×s	621.12	Calculated Property
η	0.0001296	Pa×s	643.70	Calculated Property
η	0.0001122	Pa×s	666.28	Calculated Property
η	0.0000981	Pa×s	688.87	Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, ethyl 2,4,6-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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