Chemical Properties of Succinic acid, 2-isopropoxyphenyl 2,4-dichloro-6-formylphenyl ester

InChI

InChI=1S/C20H18Cl2O6/c1-12(2)26-16-5-3-4-6-17(16)27-18(24)7-8-19(25)28-20-13(11-23)9-14(21)10-15(20)22/h3-6,9-12H,7-8H2,1-2H3

InChI Key

PXITZQGGEPDSKB-UHFFFAOYSA-N

Formula

C20H18Cl2O6

SMILES

CC(C)Oc1ccccc1OC(=O)CCC(=O)Oc1c(Cl)cc(Cl)cc1C=O

Molecular Weight¹

425.26

• 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°	51.17	kJ/mol	Joback Calculated Property
log10WS	-5.29		Relay (1.0) Calculated Property
logPoct/wat	4.884		Crippen Calculated Property
McVol	291.940	ml/mol	McGowan Calculated Property
Inp	[3037.00; 3037.00]
Inp	3037.00		NIST
Inp	3037.00		NIST
Tfus	359.06	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	[404.93; 844.51]	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			8.59120e+01
Coefficient B			1.32924e+00
Coefficient C			-5.95240e-04
Coefficient D			2.46000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	404.93	J/mol×K	273.00	Calculated Property
Cp,gas	482.76	J/mol×K	353.78	Calculated Property
Cp,gas	553.16	J/mol×K	434.56	Calculated Property
Cp,gas	616.20	J/mol×K	515.33	Calculated Property
Cp,gas	671.98	J/mol×K	596.11	Calculated Property
Cp,gas	720.56	J/mol×K	676.89	Calculated Property
Cp,gas	762.03	J/mol×K	757.67	Calculated Property
Cp,gas	796.46	J/mol×K	838.44	Calculated Property
Cp,gas	823.93	J/mol×K	919.22	Calculated Property
Cp,gas	844.51	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002188; 0.0000415]	Pa×s	[611.81; 859.64]	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			-1.41973e+01
Coefficient B			3.53006e+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.			611.81
Temperature range, max.			859.64
η	0.0002188	Pa×s	611.81	Calculated Property
η	0.0001706	Pa×s	639.35	Calculated Property
η	0.0001359	Pa×s	666.88	Calculated Property
η	0.0001101	Pa×s	694.42	Calculated Property
η	0.0000907	Pa×s	721.96	Calculated Property
η	0.0000758	Pa×s	749.49	Calculated Property
η	0.0000642	Pa×s	777.03	Calculated Property
η	0.0000549	Pa×s	804.57	Calculated Property
η	0.0000475	Pa×s	832.11	Calculated Property
η	0.0000415	Pa×s	859.64	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-isopropoxyphenyl 2,4-dichloro-6-formylphenyl 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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