Chemical Properties of Terephthalic acid, 2,2-dichloroethyl octyl ester

InChI

InChI=1S/C18H24Cl2O4/c1-2-3-4-5-6-7-12-23-17(21)14-8-10-15(11-9-14)18(22)24-13-16(19)20/h8-11,16H,2-7,12-13H2,1H3

InChI Key

WIIRDTTWUSYVJF-UHFFFAOYSA-N

Formula

C18H24Cl2O4

SMILES

CCCCCCCCOC(=O)c1ccc(C(=O)OCC(Cl)Cl)cc1

Molecular Weight¹

375.29

• ω : Acentric Factor.
• 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).
• P_c : Critical Pressure (kPa).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation, 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	[391.79; 859.70]	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			4.18380e+01
Coefficient B			1.48532e+00
Coefficient C			-7.74360e-04
Coefficient D			1.06900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	391.79	J/mol×K	273.00	Calculated Property
Cp,gas	475.13	J/mol×K	353.78	Calculated Property
Cp,gas	549.84	J/mol×K	434.56	Calculated Property
Cp,gas	616.26	J/mol×K	515.33	Calculated Property
Cp,gas	674.73	J/mol×K	596.11	Calculated Property
Cp,gas	725.59	J/mol×K	676.89	Calculated Property
Cp,gas	769.18	J/mol×K	757.67	Calculated Property
Cp,gas	805.84	J/mol×K	838.44	Calculated Property
Cp,gas	835.90	J/mol×K	919.22	Calculated Property
Cp,gas	859.70	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008121; 0.0000665]	Pa×s	[461.06; 728.01]	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			-1.39423e+01
Coefficient B			3.14738e+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.			461.06
Temperature range, max.			728.01
η	0.0008121	Pa×s	461.06	Calculated Property
η	0.0005375	Pa×s	490.72	Calculated Property
η	0.0003729	Pa×s	520.38	Calculated Property
η	0.0002692	Pa×s	550.04	Calculated Property
η	0.0002008	Pa×s	579.70	Calculated Property
η	0.0001542	Pa×s	609.37	Calculated Property
η	0.0001213	Pa×s	639.03	Calculated Property
η	0.0000975	Pa×s	668.69	Calculated Property
η	0.0000798	Pa×s	698.35	Calculated Property
η	0.0000665	Pa×s	728.01	Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, 2,2-dichloroethyl octyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.