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

InChI

InChI=1S/C18H15Cl3O5/c1-24-13-4-2-11(3-5-13)10-25-16(22)6-7-17(23)26-18-14(20)8-12(19)9-15(18)21/h2-5,8-9H,6-7,10H2,1H3

InChI Key

MXDDIBHORGYGDM-UHFFFAOYSA-N

Formula

C18H15Cl3O5

SMILES

COc1ccc(COC(=O)CCC(=O)Oc2c(Cl)cc(Cl)cc2Cl)cc1

Molecular Weight¹

417.67

• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	51.42	kJ/mol	Joback Calculated Property
logPoct/wat	5.084		Crippen Calculated Property
McVol	274.430	ml/mol	McGowan Calculated Property
Inp	[3040.00; 3040.00]
Inp	3040.00		NIST
Inp	3040.00		NIST
Tboil	660.03	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[371.31; 758.28]	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			9.09030e+01
Coefficient B			1.16562e+00
Coefficient C			-5.10640e-04
Coefficient D			1.24000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	371.31	J/mol×K	273.00	Calculated Property
Cp,gas	439.91	J/mol×K	353.78	Calculated Property
Cp,gas	502.02	J/mol×K	434.56	Calculated Property
Cp,gas	557.67	J/mol×K	515.33	Calculated Property
Cp,gas	606.91	J/mol×K	596.11	Calculated Property
Cp,gas	649.78	J/mol×K	676.89	Calculated Property
Cp,gas	686.31	J/mol×K	757.67	Calculated Property
Cp,gas	716.55	J/mol×K	838.44	Calculated Property
Cp,gas	740.52	J/mol×K	919.22	Calculated Property
Cp,gas	758.28	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002160; 0.0000464]	Pa×s	[592.19; 819.57]	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			-1.39833e+01
Coefficient B			3.28261e+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.			592.19
Temperature range, max.			819.57
η	0.0002160	Pa×s	592.19	Calculated Property
η	0.0001722	Pa×s	617.45	Calculated Property
η	0.0001397	Pa×s	642.72	Calculated Property
η	0.0001152	Pa×s	667.98	Calculated Property
η	0.0000963	Pa×s	693.25	Calculated Property
η	0.0000815	Pa×s	718.51	Calculated Property
η	0.0000698	Pa×s	743.78	Calculated Property
η	0.0000604	Pa×s	769.04	Calculated Property
η	0.0000527	Pa×s	794.31	Calculated Property
η	0.0000464	Pa×s	819.57	Calculated Property

Similar Compounds

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