Chemical Properties of Terephthalic acid, 4,4-dimethylpent-2-yl isobutyl ester

InChI

InChI=1S/C19H28O4/c1-7-16(19(4,5)6)23-18(21)15-10-8-14(9-11-15)17(20)22-12-13(2)3/h8-11,13,16H,7,12H2,1-6H3

InChI Key

TXWWGIVPOCTAEF-UHFFFAOYSA-N

Formula

C19H28O4

SMILES

CCC(OC(=O)c1ccc(C(=O)OCC(C)C)cc1)C(C)(C)C

Molecular Weight¹

320.43

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point 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 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 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	[384.42; 896.75]	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			-1.10080e+01
Coefficient B			1.69852e+00
Coefficient C			-9.62960e-04
Coefficient D			1.72200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	384.42	J/mol×K	273.00	Calculated Property
Cp,gas	476.99	J/mol×K	353.78	Calculated Property
Cp,gas	559.38	J/mol×K	434.56	Calculated Property
Cp,gas	632.13	J/mol×K	515.33	Calculated Property
Cp,gas	695.79	J/mol×K	596.11	Calculated Property
Cp,gas	750.90	J/mol×K	676.89	Calculated Property
Cp,gas	798.01	J/mol×K	757.67	Calculated Property
Cp,gas	837.65	J/mol×K	838.44	Calculated Property
Cp,gas	870.39	J/mol×K	919.22	Calculated Property
Cp,gas	896.75	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016054; 0.0000571]	Pa×s	[399.91; 689.43]	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			-1.43793e+01
Coefficient B			3.17726e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			399.91
Temperature range, max.			689.43
η	0.0016054	Pa×s	399.91	Calculated Property
η	0.0008885	Pa×s	432.08	Calculated Property
η	0.0005338	Pa×s	464.25	Calculated Property
η	0.0003426	Pa×s	496.42	Calculated Property
η	0.0002321	Pa×s	528.59	Calculated Property
η	0.0001644	Pa×s	560.76	Calculated Property
η	0.0001209	Pa×s	592.93	Calculated Property
η	0.0000917	Pa×s	625.10	Calculated Property
η	0.0000715	Pa×s	657.27	Calculated Property
η	0.0000571	Pa×s	689.43	Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, 4,4-dimethylpent-2-yl isobutyl 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

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.