Chemical Properties of Succinic acid, 4-chloro-3-methylphenyl 2,2,2-trichloroethyl ester

InChI

InChI=1S/C13H12Cl4O4/c1-8-6-9(2-3-10(8)14)21-12(19)5-4-11(18)20-7-13(15,16)17/h2-3,6H,4-5,7H2,1H3

InChI Key

IOHWGWJPXZJPAK-UHFFFAOYSA-N

Formula

C13H12Cl4O4

SMILES

Cc1cc(OC(=O)CCC(=O)OCC(Cl)(Cl)Cl)ccc1Cl

Molecular Weight¹

374.05

• 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°	40.80	kJ/mol	Joback Calculated Property
logPoct/wat	4.247		Crippen Calculated Property
McVol	234.110	ml/mol	McGowan Calculated Property
Inp	[2420.00; 2420.00]
Inp	2420.00		NIST
Inp	2420.00		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	[313.94; 616.17]	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			6.36730e+01
Coefficient B			1.08432e+00
Coefficient C			-6.44720e-04
Coefficient D			1.12900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	313.94	J/mol×K	273.00	Calculated Property
Cp,gas	371.59	J/mol×K	353.78	Calculated Property
Cp,gas	422.39	J/mol×K	434.56	Calculated Property
Cp,gas	466.69	J/mol×K	515.33	Calculated Property
Cp,gas	504.86	J/mol×K	596.11	Calculated Property
Cp,gas	537.25	J/mol×K	676.89	Calculated Property
Cp,gas	564.22	J/mol×K	757.67	Calculated Property
Cp,gas	586.13	J/mol×K	838.44	Calculated Property
Cp,gas	603.33	J/mol×K	919.22	Calculated Property
Cp,gas	616.17	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005916; 0.0000806]	Pa×s	[494.49; 717.59]	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			-1.38446e+01
Coefficient B			3.17068e+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.			494.49
Temperature range, max.			717.59
η	0.0005916	Pa×s	494.49	Calculated Property
η	0.0004356	Pa×s	519.28	Calculated Property
η	0.0003298	Pa×s	544.07	Calculated Property
η	0.0002559	Pa×s	568.86	Calculated Property
η	0.0002027	Pa×s	593.64	Calculated Property
η	0.0001637	Pa×s	618.43	Calculated Property
η	0.0001343	Pa×s	643.22	Calculated Property
η	0.0001119	Pa×s	668.01	Calculated Property
η	0.0000944	Pa×s	692.80	Calculated Property
η	0.0000806	Pa×s	717.59	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 4-chloro-3-methylphenyl 2,2,2-trichloroethyl 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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