Chemical Properties of Succinic acid, 2,2-dichloroethyl 4-chloro-2-methoxyphenyl ester

InChI

InChI=1S/C13H13Cl3O5/c1-19-10-6-8(14)2-3-9(10)21-13(18)5-4-12(17)20-7-11(15)16/h2-3,6,11H,4-5,7H2,1H3

InChI Key

ZIKJQFZTRXMLAA-UHFFFAOYSA-N

Formula

C13H13Cl3O5

SMILES

COc1cc(Cl)ccc1OC(=O)CCC(=O)OCC(Cl)Cl

Molecular Weight¹

355.60

• 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.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	41.68	kJ/mol	Joback Calculated Property
logPoct/wat	3.381		Crippen Calculated Property
McVol	227.740	ml/mol	McGowan Calculated Property
Inp	[2424.00; 2424.00]
Inp	2424.00		NIST
Inp	2424.00		NIST
Tfus	346.34	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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	[317.08; 625.47]	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			9.90730e+01
Coefficient B			8.94420e-01
Coefficient C			-3.44720e-04
Coefficient D			-2.33000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	317.08	J/mol×K	273.00	Calculated Property
Cp,gas	371.32	J/mol×K	353.78	Calculated Property
Cp,gas	420.74	J/mol×K	434.56	Calculated Property
Cp,gas	465.26	J/mol×K	515.33	Calculated Property
Cp,gas	504.82	J/mol×K	596.11	Calculated Property
Cp,gas	539.33	J/mol×K	676.89	Calculated Property
Cp,gas	568.72	J/mol×K	757.67	Calculated Property
Cp,gas	592.93	J/mol×K	838.44	Calculated Property
Cp,gas	611.87	J/mol×K	919.22	Calculated Property
Cp,gas	625.47	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006305; 0.0000808]	Pa×s	[469.38; 701.06]	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			-1.35872e+01
Coefficient B			2.91873e+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.			469.38
Temperature range, max.			701.06
η	0.0006305	Pa×s	469.38	Calculated Property
η	0.0004564	Pa×s	495.12	Calculated Property
η	0.0003410	Pa×s	520.86	Calculated Property
η	0.0002619	Pa×s	546.61	Calculated Property
η	0.0002060	Pa×s	572.35	Calculated Property
η	0.0001654	Pa×s	598.09	Calculated Property
η	0.0001352	Pa×s	623.83	Calculated Property
η	0.0001124	Pa×s	649.57	Calculated Property
η	0.0000947	Pa×s	675.32	Calculated Property
η	0.0000808	Pa×s	701.06	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,2-dichloroethyl 4-chloro-2-methoxyphenyl 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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