Chemical Properties of Succinic acid, butyl 2,3,4,6-tetrachlorophenyl ester

InChI

InChI=1S/C14H14Cl4O4/c1-2-3-6-21-10(19)4-5-11(20)22-14-9(16)7-8(15)12(17)13(14)18/h7H,2-6H2,1H3

InChI Key

XFVCSOSLMXVDEQ-UHFFFAOYSA-N

Formula

C14H14Cl4O4

SMILES

CCCCOC(=O)CCC(=O)Oc1c(Cl)cc(Cl)c(Cl)c1Cl

Molecular Weight¹

388.07

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Pressure, Critical Volume, 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	[341.71; 660.22]	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			1.15835e+02
Coefficient B			9.34520e-01
Coefficient C			-3.93240e-04
Coefficient D			3.10000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	341.71	J/mol×K	273.00	Calculated Property
Cp,gas	397.37	J/mol×K	353.78	Calculated Property
Cp,gas	447.93	J/mol×K	434.56	Calculated Property
Cp,gas	493.42	J/mol×K	515.33	Calculated Property
Cp,gas	533.83	J/mol×K	596.11	Calculated Property
Cp,gas	569.19	J/mol×K	676.89	Calculated Property
Cp,gas	599.50	J/mol×K	757.67	Calculated Property
Cp,gas	624.76	J/mol×K	838.44	Calculated Property
Cp,gas	645.00	J/mol×K	919.22	Calculated Property
Cp,gas	660.22	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004285; 0.0000903]	Pa×s	[528.38; 735.52]	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			-1.32848e+01
Coefficient B			2.92178e+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.			528.38
Temperature range, max.			735.52
η	0.0004285	Pa×s	528.38	Calculated Property
η	0.0003402	Pa×s	551.40	Calculated Property
η	0.0002751	Pa×s	574.41	Calculated Property
η	0.0002262	Pa×s	597.43	Calculated Property
η	0.0001887	Pa×s	620.44	Calculated Property
η	0.0001594	Pa×s	643.46	Calculated Property
η	0.0001363	Pa×s	666.47	Calculated Property
η	0.0001177	Pa×s	689.49	Calculated Property
η	0.0001027	Pa×s	712.50	Calculated Property
η	0.0000903	Pa×s	735.52	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, butyl 2,3,4,6-tetrachlorophenyl 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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