Chemical Properties of Succinic acid, 2,4,6-trichlorophenyl 2-methoxy-5-methylphenyl ester

InChI

InChI=1S/C18H15Cl3O5/c1-10-3-4-14(24-2)15(7-10)25-16(22)5-6-17(23)26-18-12(20)8-11(19)9-13(18)21/h3-4,7-9H,5-6H2,1-2H3

InChI Key

VNNONIAJJJYMBN-UHFFFAOYSA-N

Formula

C18H15Cl3O5

SMILES

COc1ccc(C)cc1OC(=O)CCC(=O)Oc1c(Cl)cc(Cl)cc1Cl

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).
• IE : Ionization energy (eV).
• 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°	51.03	kJ/mol	Joback Calculated Property
IE	8.03	eV	Relay (1.0) Calculated Property
logPoct/wat	5.255		Crippen Calculated Property
McVol	274.430	ml/mol	McGowan Calculated Property
Inp	[2945.00; 2945.00]
Inp	2945.00		NIST
Inp	2945.00		NIST
Tboil	654.34	K	Relay (1.0) Calculated Property
Tfus	371.71	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, 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	[373.86; 755.24]	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			1.05202e+02
Coefficient B			1.10614e+00
Coefficient C			-4.43600e-04
Coefficient D			-1.25000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	373.86	J/mol×K	273.00	Calculated Property
Cp,gas	440.46	J/mol×K	353.78	Calculated Property
Cp,gas	501.09	J/mol×K	434.56	Calculated Property
Cp,gas	555.72	J/mol×K	515.33	Calculated Property
Cp,gas	604.30	J/mol×K	596.11	Calculated Property
Cp,gas	646.81	J/mol×K	676.89	Calculated Property
Cp,gas	683.20	J/mol×K	757.67	Calculated Property
Cp,gas	713.43	J/mol×K	838.44	Calculated Property
Cp,gas	737.45	J/mol×K	919.22	Calculated Property
Cp,gas	755.24	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001944; 0.0000470]	Pa×s	[604.71; 823.58]	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			-1.38893e+01
Coefficient B			3.23135e+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.			604.71
Temperature range, max.			823.58
η	0.0001944	Pa×s	604.71	Calculated Property
η	0.0001581	Pa×s	629.03	Calculated Property
η	0.0001306	Pa×s	653.35	Calculated Property
η	0.0001093	Pa×s	677.67	Calculated Property
η	0.0000927	Pa×s	701.99	Calculated Property
η	0.0000795	Pa×s	726.31	Calculated Property
η	0.0000688	Pa×s	750.62	Calculated Property
η	0.0000601	Pa×s	774.94	Calculated Property
η	0.0000529	Pa×s	799.26	Calculated Property
η	0.0000470	Pa×s	823.58	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,4,6-trichlorophenyl 2-methoxy-5-methylphenyl 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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