Chemical Properties of Terephthalic acid, 2-chloropropyl hexyl ester

InChI

InChI=1S/C17H23ClO4/c1-3-4-5-6-11-21-16(19)14-7-9-15(10-8-14)17(20)22-12-13(2)18/h7-10,13H,3-6,11-12H2,1-2H3

InChI Key

JRNSUEZMONBKGI-UHFFFAOYSA-N

Formula

C17H23ClO4

SMILES

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

Molecular Weight¹

326.82

• 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	[357.17; 799.84]	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			2.98560e+01
Coefficient B			1.38354e+00
Coefficient C			-6.99560e-04
Coefficient D			8.60000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	357.17	J/mol×K	273.00	Calculated Property
Cp,gas	435.57	J/mol×K	353.78	Calculated Property
Cp,gas	506.03	J/mol×K	434.56	Calculated Property
Cp,gas	568.83	J/mol×K	515.33	Calculated Property
Cp,gas	624.23	J/mol×K	596.11	Calculated Property
Cp,gas	672.51	J/mol×K	676.89	Calculated Property
Cp,gas	713.93	J/mol×K	757.67	Calculated Property
Cp,gas	748.78	J/mol×K	838.44	Calculated Property
Cp,gas	777.33	J/mol×K	919.22	Calculated Property
Cp,gas	799.84	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012020; 0.0000851]	Pa×s	[419.87; 683.48]	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			-1.35876e+01
Coefficient B			2.88190e+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.			419.87
Temperature range, max.			683.48
η	0.0012020	Pa×s	419.87	Calculated Property
η	0.0007682	Pa×s	449.16	Calculated Property
η	0.0005187	Pa×s	478.45	Calculated Property
η	0.0003664	Pa×s	507.74	Calculated Property
η	0.0002689	Pa×s	537.03	Calculated Property
η	0.0002037	Pa×s	566.32	Calculated Property
η	0.0001586	Pa×s	595.61	Calculated Property
η	0.0001264	Pa×s	624.90	Calculated Property
η	0.0001028	Pa×s	654.19	Calculated Property
η	0.0000851	Pa×s	683.48	Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, 2-chloropropyl hexyl 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.