Chemical Properties of Succinic acid, 4-chloro-3-methylphenyl 2,4,6-trichlorophenyl ester

InChI

InChI=1S/C17H12Cl4O4/c1-9-6-11(2-3-12(9)19)24-15(22)4-5-16(23)25-17-13(20)7-10(18)8-14(17)21/h2-3,6-8H,4-5H2,1H3

InChI Key

AKBPTYDLNXKJNG-UHFFFAOYSA-N

Formula

C17H12Cl4O4

SMILES

Cc1cc(OC(=O)CCC(=O)Oc2c(Cl)cc(Cl)cc2Cl)ccc1Cl

Molecular Weight¹

422.09

• 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°	51.45	kJ/mol	Joback Calculated Property
logPoct/wat	5.900		Crippen Calculated Property
McVol	266.710	ml/mol	McGowan Calculated Property
Inp	[2897.00; 2897.00]
Inp	2897.00		NIST
Inp	2897.00		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	[350.65; 693.42]	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			9.35020e+01
Coefficient B			1.08112e+00
Coefficient C			-5.20600e-04
Coefficient D			3.94000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	350.65	J/mol×K	273.00	Calculated Property
Cp,gas	412.57	J/mol×K	353.78	Calculated Property
Cp,gas	468.23	J/mol×K	434.56	Calculated Property
Cp,gas	517.78	J/mol×K	515.33	Calculated Property
Cp,gas	561.32	J/mol×K	596.11	Calculated Property
Cp,gas	598.99	J/mol×K	676.89	Calculated Property
Cp,gas	630.91	J/mol×K	757.67	Calculated Property
Cp,gas	657.21	J/mol×K	838.44	Calculated Property
Cp,gas	678.00	J/mol×K	919.22	Calculated Property
Cp,gas	693.42	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002518; 0.0000604]	Pa×s	[601.13; 822.61]	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			-1.35878e+01
Coefficient B			3.18642e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			601.13
Temperature range, max.			822.61
η	0.0002518	Pa×s	601.13	Calculated Property
η	0.0002044	Pa×s	625.74	Calculated Property
η	0.0001686	Pa×s	650.35	Calculated Property
η	0.0001410	Pa×s	674.96	Calculated Property
η	0.0001194	Pa×s	699.57	Calculated Property
η	0.0001023	Pa×s	724.18	Calculated Property
η	0.0000885	Pa×s	748.79	Calculated Property
η	0.0000773	Pa×s	773.40	Calculated Property
η	0.0000681	Pa×s	798.01	Calculated Property
η	0.0000604	Pa×s	822.61	Calculated Property

Similar Compounds

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

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.