Chemical Properties of Terephthalic acid, but-2-enyl tridecyl ester

InChI

InChI=1S/C25H38O4/c1-3-5-7-8-9-10-11-12-13-14-15-21-29-25(27)23-18-16-22(17-19-23)24(26)28-20-6-4-2/h4,6,16-19H,3,5,7-15,20-21H2,1-2H3/b6-4+

InChI Key

CAPLXHPCMGAHEI-GQCTYLIASA-N

Formula

C25H38O4

SMILES

CC=CCOC(=O)c1ccc(C(=O)OCCCCCCCCCCCCC)cc1

Molecular Weight¹

402.57

• 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	[499.79; 1173.17]	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			-2.80700e+00
Coefficient B			2.15084e+00
Coefficient C			-1.19496e-03
Coefficient D			2.20100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	499.79	J/mol×K	273.00	Calculated Property
Cp,gas	618.30	J/mol×K	353.78	Calculated Property
Cp,gas	724.26	J/mol×K	434.56	Calculated Property
Cp,gas	818.37	J/mol×K	515.33	Calculated Property
Cp,gas	901.33	J/mol×K	596.11	Calculated Property
Cp,gas	973.83	J/mol×K	676.89	Calculated Property
Cp,gas	1036.57	J/mol×K	757.67	Calculated Property
Cp,gas	1090.24	J/mol×K	838.44	Calculated Property
Cp,gas	1135.54	J/mol×K	919.22	Calculated Property
Cp,gas	1173.17	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004592; 0.0000325]	Pa×s	[490.03; 792.36]	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			-1.46291e+01
Coefficient B			3.40228e+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.			490.03
Temperature range, max.			792.36
η	0.0004592	Pa×s	490.03	Calculated Property
η	0.0002941	Pa×s	523.62	Calculated Property
η	0.0001988	Pa×s	557.21	Calculated Property
η	0.0001405	Pa×s	590.81	Calculated Property
η	0.0001031	Pa×s	624.40	Calculated Property
η	0.0000780	Pa×s	657.99	Calculated Property
η	0.0000607	Pa×s	691.58	Calculated Property
η	0.0000483	Pa×s	725.18	Calculated Property
η	0.0000393	Pa×s	758.77	Calculated Property
η	0.0000325	Pa×s	792.36	Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, but-2-enyl tridecyl ester.

Sources

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

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