Chemical Properties of Succinic acid, di(2,4,5-trichlorophenyl) ester

InChI

InChI=1S/C16H8Cl6O4/c17-7-3-11(21)13(5-9(7)19)25-15(23)1-2-16(24)26-14-6-10(20)8(18)4-12(14)22/h3-6H,1-2H2

InChI Key

BRNHDLCBURZOCR-UHFFFAOYSA-N

Formula

C16H8Cl6O4

SMILES

O=C(CCC(=O)Oc1cc(Cl)c(Cl)cc1Cl)Oc1cc(Cl)c(Cl)cc1Cl

Molecular Weight¹

476.95

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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°	56.86	kJ/mol	Joback Calculated Property
log10WS	-8.15		Relay (1.0) Calculated Property
logPoct/wat	6.898		Crippen Calculated Property
McVol	277.100	ml/mol	McGowan Calculated Property
Inp	[3200.00; 3200.00]
Inp	3200.00		NIST
Inp	3200.00		NIST
Tfus	420.68	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 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	[358.80; 655.33]	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			1.34492e+02
Coefficient B			9.40200e-01
Coefficient C			-4.39960e-04
Coefficient D			2.06000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	358.80	J/mol×K	273.00	Calculated Property
Cp,gas	412.96	J/mol×K	353.78	Calculated Property
Cp,gas	461.67	J/mol×K	434.56	Calculated Property
Cp,gas	504.99	J/mol×K	515.33	Calculated Property
Cp,gas	542.98	J/mol×K	596.11	Calculated Property
Cp,gas	575.71	J/mol×K	676.89	Calculated Property
Cp,gas	603.25	J/mol×K	757.67	Calculated Property
Cp,gas	625.65	J/mol×K	838.44	Calculated Property
Cp,gas	642.99	J/mol×K	919.22	Calculated Property
Cp,gas	655.33	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001749; 0.0000519]	Pa×s	[662.22; 868.72]	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			-1.37606e+01
Coefficient B			3.38364e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			662.22
Temperature range, max.			868.72
η	0.0001749	Pa×s	662.22	Calculated Property
η	0.0001474	Pa×s	685.16	Calculated Property
η	0.0001256	Pa×s	708.11	Calculated Property
η	0.0001081	Pa×s	731.05	Calculated Property
η	0.0000939	Pa×s	754.00	Calculated Property
η	0.0000823	Pa×s	776.94	Calculated Property
η	0.0000726	Pa×s	799.88	Calculated Property
η	0.0000645	Pa×s	822.83	Calculated Property
η	0.0000577	Pa×s	845.77	Calculated Property
η	0.0000519	Pa×s	868.72	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, di(2,4,5-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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