Chemical Properties of Terephthalic acid, 2-methylpent-3-yl tridecyl ester

InChI

InChI=1S/C27H44O4/c1-5-7-8-9-10-11-12-13-14-15-16-21-30-26(28)23-17-19-24(20-18-23)27(29)31-25(6-2)22(3)4/h17-20,22,25H,5-16,21H2,1-4H3

InChI Key

PUIPASLMTUENLR-UHFFFAOYSA-N

Formula

C27H44O4

SMILES

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

Molecular Weight¹

432.64

• 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	[555.59; 1308.01]	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			6.19300e+00
Coefficient B			2.33268e+00
Coefficient C			-1.22636e-03
Coefficient D			1.95500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	555.59	J/mol×K	273.00	Calculated Property
Cp,gas	686.61	J/mol×K	353.78	Calculated Property
Cp,gas	804.33	J/mol×K	434.56	Calculated Property
Cp,gas	909.37	J/mol×K	515.33	Calculated Property
Cp,gas	1002.36	J/mol×K	596.11	Calculated Property
Cp,gas	1083.90	J/mol×K	676.89	Calculated Property
Cp,gas	1154.62	J/mol×K	757.67	Calculated Property
Cp,gas	1215.13	J/mol×K	838.44	Calculated Property
Cp,gas	1266.06	J/mol×K	919.22	Calculated Property
Cp,gas	1308.01	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005156; 0.0000231]	Pa×s	[487.65; 826.74]	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			-1.51371e+01
Coefficient B			3.69000e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			487.65
Temperature range, max.			826.74
η	0.0005156	Pa×s	487.65	Calculated Property
η	0.0002997	Pa×s	525.33	Calculated Property
η	0.0001873	Pa×s	563.00	Calculated Property
η	0.0001241	Pa×s	600.68	Calculated Property
η	0.0000864	Pa×s	638.36	Calculated Property
η	0.0000626	Pa×s	676.03	Calculated Property
η	0.0000469	Pa×s	713.71	Calculated Property
η	0.0000362	Pa×s	751.39	Calculated Property
η	0.0000286	Pa×s	789.07	Calculated Property
η	0.0000231	Pa×s	826.74	Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, 2-methylpent-3-yl tridecyl ester.

Sources

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

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