Chemical Properties of Succinic acid, 2,2-dichloroethyl 2-chloro-4-methylphenyl ester

InChI

InChI=1S/C13H13Cl3O4/c1-8-2-3-10(9(14)6-8)20-13(18)5-4-12(17)19-7-11(15)16/h2-3,6,11H,4-5,7H2,1H3

InChI Key

XBPMFLPDFBJDFP-UHFFFAOYSA-N

Formula

C13H13Cl3O4

SMILES

Cc1ccc(OC(=O)CCC(=O)OCC(Cl)Cl)c(Cl)c1

Molecular Weight¹

339.60

• 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°	40.49	kJ/mol	Joback Calculated Property
logPoct/wat	3.681		Crippen Calculated Property
McVol	221.870	ml/mol	McGowan Calculated Property
Inp	[2312.00; 2312.00]
Inp	2312.00		NIST
Inp	2312.00		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	[301.68; 606.97]	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			7.35730e+01
Coefficient B			9.57620e-01
Coefficient C			-4.55720e-04
Coefficient D			3.15000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	301.68	J/mol×K	273.00	Calculated Property
Cp,gas	356.72	J/mol×K	353.78	Calculated Property
Cp,gas	406.24	J/mol×K	434.56	Calculated Property
Cp,gas	450.35	J/mol×K	515.33	Calculated Property
Cp,gas	489.15	J/mol×K	596.11	Calculated Property
Cp,gas	522.74	J/mol×K	676.89	Calculated Property
Cp,gas	551.22	J/mol×K	757.67	Calculated Property
Cp,gas	574.68	J/mol×K	838.44	Calculated Property
Cp,gas	593.24	J/mol×K	919.22	Calculated Property
Cp,gas	606.97	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009184; 0.0001037]	Pa×s	[447.15; 686.67]	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			-1.32472e+01
Coefficient B			2.79664e+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.			447.15
Temperature range, max.			686.67
η	0.0009184	Pa×s	447.15	Calculated Property
η	0.0006463	Pa×s	473.76	Calculated Property
η	0.0004722	Pa×s	500.38	Calculated Property
η	0.0003561	Pa×s	526.99	Calculated Property
η	0.0002759	Pa×s	553.60	Calculated Property
η	0.0002188	Pa×s	580.21	Calculated Property
η	0.0001771	Pa×s	606.83	Calculated Property
η	0.0001460	Pa×s	633.44	Calculated Property
η	0.0001222	Pa×s	660.05	Calculated Property
η	0.0001037	Pa×s	686.67	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,2-dichloroethyl 2-chloro-4-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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