Chemical Properties of Succinic acid, 2,4,6-trichlorophenyl 2,3-dimethylphenyl ester

InChI

InChI=1S/C18H15Cl3O4/c1-10-4-3-5-15(11(10)2)24-16(22)6-7-17(23)25-18-13(20)8-12(19)9-14(18)21/h3-5,8-9H,6-7H2,1-2H3

InChI Key

YSIQDBTTXRILSO-UHFFFAOYSA-N

Formula

C18H15Cl3O4

SMILES

Cc1cccc(OC(=O)CCC(=O)Oc2c(Cl)cc(Cl)cc2Cl)c1C

Molecular Weight¹

401.67

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	49.84	kJ/mol	Joback Calculated Property
logPoct/wat	5.555		Crippen Calculated Property
McVol	268.560	ml/mol	McGowan Calculated Property
Inp	[2903.00; 2903.00]
Inp	2903.00		NIST
Inp	2903.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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	[358.46; 736.74]	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			7.97020e+01
Coefficient B			1.16934e+00
Coefficient C			-5.54600e-04
Coefficient D			4.23000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	358.46	J/mol×K	273.00	Calculated Property
Cp,gas	425.85	J/mol×K	353.78	Calculated Property
Cp,gas	486.59	J/mol×K	434.56	Calculated Property
Cp,gas	540.81	J/mol×K	515.33	Calculated Property
Cp,gas	588.64	J/mol×K	596.11	Calculated Property
Cp,gas	630.23	J/mol×K	676.89	Calculated Property
Cp,gas	665.70	J/mol×K	757.67	Calculated Property
Cp,gas	695.18	J/mol×K	838.44	Calculated Property
Cp,gas	718.82	J/mol×K	919.22	Calculated Property
Cp,gas	736.74	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002734; 0.0000614]	Pa×s	[582.48; 808.69]	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			-1.35424e+01
Coefficient B			3.10926e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			582.48
Temperature range, max.			808.69
η	0.0002734	Pa×s	582.48	Calculated Property
η	0.0002193	Pa×s	607.61	Calculated Property
η	0.0001789	Pa×s	632.75	Calculated Property
η	0.0001483	Pa×s	657.88	Calculated Property
η	0.0001246	Pa×s	683.02	Calculated Property
η	0.0001060	Pa×s	708.15	Calculated Property
η	0.0000912	Pa×s	733.29	Calculated Property
η	0.0000793	Pa×s	758.42	Calculated Property
η	0.0000695	Pa×s	783.56	Calculated Property
η	0.0000614	Pa×s	808.69	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,4,6-trichlorophenyl 2,3-dimethylphenyl 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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