Chemical Properties of Terephthalic acid, propyl 2,4,4-trimethylpentyl ester

InChI

InChI=1S/C19H28O4/c1-6-11-22-17(20)15-7-9-16(10-8-15)18(21)23-13-14(2)12-19(3,4)5/h7-10,14H,6,11-13H2,1-5H3

InChI Key

FUIIKXGKNVBXRG-UHFFFAOYSA-N

Formula

C19H28O4

SMILES

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

Molecular Weight¹

320.42

• 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	[384.74; 896.21]	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			-9.32600e+00
Coefficient B			1.69260e+00
Coefficient C			-9.59760e-04
Coefficient D			1.72700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	384.74	J/mol×K	273.00	Calculated Property
Cp,gas	477.00	J/mol×K	353.78	Calculated Property
Cp,gas	559.13	J/mol×K	434.56	Calculated Property
Cp,gas	631.68	J/mol×K	515.33	Calculated Property
Cp,gas	695.18	J/mol×K	596.11	Calculated Property
Cp,gas	750.20	J/mol×K	676.89	Calculated Property
Cp,gas	797.26	J/mol×K	757.67	Calculated Property
Cp,gas	836.92	J/mol×K	838.44	Calculated Property
Cp,gas	869.72	J/mol×K	919.22	Calculated Property
Cp,gas	896.21	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012573; 0.0000625]	Pa×s	[414.91; 687.80]	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			-1.42453e+01
Coefficient B			3.13944e+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.			414.91
Temperature range, max.			687.80
η	0.0012573	Pa×s	414.91	Calculated Property
η	0.0007510	Pa×s	445.23	Calculated Property
η	0.0004791	Pa×s	475.55	Calculated Property
η	0.0003225	Pa×s	505.87	Calculated Property
η	0.0002271	Pa×s	536.19	Calculated Property
η	0.0001660	Pa×s	566.52	Calculated Property
η	0.0001252	Pa×s	596.84	Calculated Property
η	0.0000971	Pa×s	627.16	Calculated Property
η	0.0000771	Pa×s	657.48	Calculated Property
η	0.0000625	Pa×s	687.80	Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, propyl 2,4,4-trimethylpentyl ester.

Sources

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

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