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

InChI

InChI=1S/C17H13Cl3O5/c1-23-13-4-2-3-5-14(13)24-15(21)6-7-16(22)25-17-11(19)8-10(18)9-12(17)20/h2-5,8-9H,6-7H2,1H3

InChI Key

ITQZEGHCMOJCDQ-UHFFFAOYSA-N

Formula

C17H13Cl3O5

SMILES

COc1ccccc1OC(=O)CCC(=O)Oc1c(Cl)cc(Cl)cc1Cl

Molecular Weight¹

403.64

• 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°	48.83	kJ/mol	Joback Calculated Property
log10WS	-5.60		Relay (1.0) Calculated Property
logPoct/wat	4.947		Crippen Calculated Property
McVol	260.340	ml/mol	McGowan Calculated Property
Inp	[2871.00; 2871.00]
Inp	2871.00		NIST
Inp	2871.00		NIST
Tfus	369.53	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	[350.10; 706.69]	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			9.18120e+01
Coefficient B			1.07062e+00
Coefficient C			-4.56240e-04
Coefficient D			5.00000e-10
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	350.10	J/mol×K	273.00	Calculated Property
Cp,gas	413.49	J/mol×K	353.78	Calculated Property
Cp,gas	470.94	J/mol×K	434.56	Calculated Property
Cp,gas	522.44	J/mol×K	515.33	Calculated Property
Cp,gas	568.00	J/mol×K	596.11	Calculated Property
Cp,gas	607.62	J/mol×K	676.89	Calculated Property
Cp,gas	641.29	J/mol×K	757.67	Calculated Property
Cp,gas	669.03	J/mol×K	838.44	Calculated Property
Cp,gas	690.83	J/mol×K	919.22	Calculated Property
Cp,gas	706.69	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002412; 0.0000524]	Pa×s	[580.92; 804.93]	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			-1.38185e+01
Coefficient B			3.18845e+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.			580.92
Temperature range, max.			804.93
η	0.0002412	Pa×s	580.92	Calculated Property
η	0.0001925	Pa×s	605.81	Calculated Property
η	0.0001564	Pa×s	630.70	Calculated Property
η	0.0001291	Pa×s	655.59	Calculated Property
η	0.0001081	Pa×s	680.48	Calculated Property
η	0.0000916	Pa×s	705.37	Calculated Property
η	0.0000785	Pa×s	730.26	Calculated Property
η	0.0000680	Pa×s	755.15	Calculated Property
η	0.0000594	Pa×s	780.04	Calculated Property
η	0.0000524	Pa×s	804.93	Calculated Property

Similar Compounds

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