Chemical Properties of Terephthalic acid, heptyl pentyl ester

InChI

InChI=1S/C20H30O4/c1-3-5-7-8-10-16-24-20(22)18-13-11-17(12-14-18)19(21)23-15-9-6-4-2/h11-14H,3-10,15-16H2,1-2H3

InChI Key

GDXYOZUJFDYDFU-UHFFFAOYSA-N

Formula

C20H30O4

SMILES

CCCCCCCOC(=O)c1ccc(C(=O)OCCCCC)cc1

Molecular Weight¹

334.45

Other Names

• Heptyl pentyl terephthalate

• 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).
• IE : Ionization energy (eV).
• 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 for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[407.73; 945.80]	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			1.59200e+01
Coefficient B			1.65584e+00
Coefficient C			-8.39160e-04
Coefficient D			1.13200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	407.73	J/mol×K	273.00	Calculated Property
Cp,gas	501.70	J/mol×K	353.78	Calculated Property
Cp,gas	586.30	J/mol×K	434.56	Calculated Property
Cp,gas	661.87	J/mol×K	515.33	Calculated Property
Cp,gas	728.77	J/mol×K	596.11	Calculated Property
Cp,gas	787.36	J/mol×K	676.89	Calculated Property
Cp,gas	838.00	J/mol×K	757.67	Calculated Property
Cp,gas	881.05	J/mol×K	838.44	Calculated Property
Cp,gas	916.86	J/mol×K	919.22	Calculated Property
Cp,gas	945.80	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009137; 0.0000739]	Pa×s	[438.76; 700.08]	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			-1.37335e+01
Coefficient B			2.95524e+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.			438.76
Temperature range, max.			700.08
η	0.0009137	Pa×s	438.76	Calculated Property
η	0.0006015	Pa×s	467.80	Calculated Property
η	0.0004158	Pa×s	496.83	Calculated Property
η	0.0002994	Pa×s	525.87	Calculated Property
η	0.0002231	Pa×s	554.90	Calculated Property
η	0.0001712	Pa×s	583.94	Calculated Property
η	0.0001347	Pa×s	612.97	Calculated Property
η	0.0001083	Pa×s	642.01	Calculated Property
η	0.0000888	Pa×s	671.05	Calculated Property
η	0.0000739	Pa×s	700.08	Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, heptyl pentyl ester.

Sources

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

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