Chemical Properties of Terephthalic acid, isohexyl 4-methylpent-2-yl ester

InChI

InChI=1S/C20H30O4/c1-14(2)7-6-12-23-19(21)17-8-10-18(11-9-17)20(22)24-16(5)13-15(3)4/h8-11,14-16H,6-7,12-13H2,1-5H3

InChI Key

FEWOXHDSBQDEGF-UHFFFAOYSA-N

Formula

C20H30O4

SMILES

CC(C)CCCOC(=O)c1ccc(C(=O)OC(C)CC(C)C)cc1

Molecular Weight¹

334.46

• ω : Acentric Factor.
• 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).
• 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 Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[406.78; 947.41]	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			1.08740e+01
Coefficient B			1.67360e+00
Coefficient C			-8.48760e-04
Coefficient D			1.11700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	406.78	J/mol×K	273.00	Calculated Property
Cp,gas	501.67	J/mol×K	353.78	Calculated Property
Cp,gas	587.03	J/mol×K	434.56	Calculated Property
Cp,gas	663.22	J/mol×K	515.33	Calculated Property
Cp,gas	730.58	J/mol×K	596.11	Calculated Property
Cp,gas	789.47	J/mol×K	676.89	Calculated Property
Cp,gas	840.25	J/mol×K	757.67	Calculated Property
Cp,gas	883.26	J/mol×K	838.44	Calculated Property
Cp,gas	918.87	J/mol×K	919.22	Calculated Property
Cp,gas	947.41	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017605; 0.0000570]	Pa×s	[393.76; 703.47]	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			-1.41355e+01
Coefficient B			3.06870e+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.			393.76
Temperature range, max.			703.47
η	0.0017605	Pa×s	393.76	Calculated Property
η	0.0009410	Pa×s	428.17	Calculated Property
η	0.0005522	Pa×s	462.59	Calculated Property
η	0.0003488	Pa×s	497.00	Calculated Property
η	0.0002338	Pa×s	531.41	Calculated Property
η	0.0001646	Pa×s	565.82	Calculated Property
η	0.0001206	Pa×s	600.24	Calculated Property
η	0.0000914	Pa×s	634.65	Calculated Property
η	0.0000713	Pa×s	669.06	Calculated Property
η	0.0000570	Pa×s	703.47	Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, isohexyl 4-methylpent-2-yl ester.

Sources

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

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