Chemical Properties of Succinic acid, 2,4,6-trichlorophenyl 2,2,2-trichloroethyl ester

InChI

InChI=1S/C12H8Cl6O4/c13-6-3-7(14)11(8(15)4-6)22-10(20)2-1-9(19)21-5-12(16,17)18/h3-4H,1-2,5H2

InChI Key

GNXCORFQNNSESA-UHFFFAOYSA-N

Formula

C12H8Cl6O4

SMILES

O=C(CCC(=O)Oc1c(Cl)cc(Cl)cc1Cl)OCC(Cl)(Cl)Cl

Molecular Weight¹

428.91

• 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°	46.22	kJ/mol	Joback Calculated Property
logPoct/wat	5.246		Crippen Calculated Property
McVol	244.500	ml/mol	McGowan Calculated Property
Inp	[2543.00; 2543.00]
Inp	2543.00		NIST
Inp	2543.00		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	[322.09; 578.08]	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			1.04663e+02
Coefficient B			9.43400e-01
Coefficient C			-5.64080e-04
Coefficient D			9.41000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	322.09	J/mol×K	273.00	Calculated Property
Cp,gas	371.98	J/mol×K	353.78	Calculated Property
Cp,gas	415.82	J/mol×K	434.56	Calculated Property
Cp,gas	453.90	J/mol×K	515.33	Calculated Property
Cp,gas	486.52	J/mol×K	596.11	Calculated Property
Cp,gas	513.97	J/mol×K	676.89	Calculated Property
Cp,gas	536.56	J/mol×K	757.67	Calculated Property
Cp,gas	554.57	J/mol×K	838.44	Calculated Property
Cp,gas	568.32	J/mol×K	919.22	Calculated Property
Cp,gas	578.08	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003559; 0.0000681]	Pa×s	[555.58; 763.97]	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			-1.40028e+01
Coefficient B			3.36790e+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.			555.58
Temperature range, max.			763.97
η	0.0003559	Pa×s	555.58	Calculated Property
η	0.0002793	Pa×s	578.73	Calculated Property
η	0.0002233	Pa×s	601.89	Calculated Property
η	0.0001815	Pa×s	625.04	Calculated Property
η	0.0001497	Pa×s	648.20	Calculated Property
η	0.0001251	Pa×s	671.35	Calculated Property
η	0.0001059	Pa×s	694.51	Calculated Property
η	0.0000905	Pa×s	717.66	Calculated Property
η	0.0000782	Pa×s	740.81	Calculated Property
η	0.0000681	Pa×s	763.97	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,4,6-trichlorophenyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.