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

InChI

InChI=1S/C17H12Cl4O5/c1-24-14-8-9(18)2-3-13(14)25-15(22)4-5-16(23)26-17-11(20)6-10(19)7-12(17)21/h2-3,6-8H,4-5H2,1H3

InChI Key

YDWDFIWSBQWUPT-UHFFFAOYSA-N

Formula

C17H12Cl4O5

SMILES

COc1cc(Cl)ccc1OC(=O)CCC(=O)Oc1c(Cl)cc(Cl)cc1Cl

Molecular Weight¹

438.09

• 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).
• IE : Ionization energy (eV).
• 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_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	52.64	kJ/mol	Joback Calculated Property
IE	8.28	eV	Relay (1.0) Calculated Property
log10WS	-6.39		Relay (1.0) Calculated Property
logPoct/wat	5.600		Crippen Calculated Property
McVol	272.580	ml/mol	McGowan Calculated Property
Inp	[3068.00; 3068.00]
Inp	3068.00		NIST
Inp	3068.00		NIST
Tboil	652.48	K	Relay (1.0) Calculated Property
Tfus	369.06	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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 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	[366.05; 711.92]	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			1.19002e+02
Coefficient B			1.01792e+00
Coefficient C			-4.09600e-04
Coefficient D			-1.54000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	366.05	J/mol×K	273.00	Calculated Property
Cp,gas	427.17	J/mol×K	353.78	Calculated Property
Cp,gas	482.73	J/mol×K	434.56	Calculated Property
Cp,gas	532.69	J/mol×K	515.33	Calculated Property
Cp,gas	576.98	J/mol×K	596.11	Calculated Property
Cp,gas	615.57	J/mol×K	676.89	Calculated Property
Cp,gas	648.41	J/mol×K	757.67	Calculated Property
Cp,gas	675.45	J/mol×K	838.44	Calculated Property
Cp,gas	696.64	J/mol×K	919.22	Calculated Property
Cp,gas	711.92	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001788; 0.0000461]	Pa×s	[623.36; 837.32]	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			-1.39366e+01
Coefficient B			3.30851e+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.			623.36
Temperature range, max.			837.32
η	0.0001788	Pa×s	623.36	Calculated Property
η	0.0001472	Pa×s	647.13	Calculated Property
η	0.0001228	Pa×s	670.91	Calculated Property
η	0.0001037	Pa×s	694.68	Calculated Property
η	0.0000886	Pa×s	718.45	Calculated Property
η	0.0000764	Pa×s	742.23	Calculated Property
η	0.0000666	Pa×s	766.00	Calculated Property
η	0.0000584	Pa×s	789.77	Calculated Property
η	0.0000517	Pa×s	813.55	Calculated Property
η	0.0000461	Pa×s	837.32	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,4,6-trichlorophenyl 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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