Chemical Properties of Terephthalic acid, hept-3-yl pentadecyl ester

InChI

InChI=1S/C30H50O4/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-25-33-29(31)26-21-23-27(24-22-26)30(32)34-28(6-3)20-8-5-2/h21-24,28H,4-20,25H2,1-3H3

InChI Key

XYQALTHKGPDBSL-UHFFFAOYSA-N

Formula

C30H50O4

SMILES

CCCCCCCCCCCCCCCOC(=O)c1ccc(C(=O)OC(CC)CCCC)cc1

Molecular Weight¹

474.72

Other Names

• Terephthalic acid, heptyl-3 pentadecyl ester

• 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	[619.55; 1462.25]	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			5.14800e+00
Coefficient B			2.61176e+00
Coefficient C			-1.38636e-03
Coefficient D			2.31700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	619.55	J/mol×K	273.00	Calculated Property
Cp,gas	765.87	J/mol×K	353.78	Calculated Property
Cp,gas	897.32	J/mol×K	434.56	Calculated Property
Cp,gas	1014.61	J/mol×K	515.33	Calculated Property
Cp,gas	1118.49	J/mol×K	596.11	Calculated Property
Cp,gas	1209.68	J/mol×K	676.89	Calculated Property
Cp,gas	1288.92	J/mol×K	757.67	Calculated Property
Cp,gas	1356.94	J/mol×K	838.44	Calculated Property
Cp,gas	1414.47	J/mol×K	919.22	Calculated Property
Cp,gas	1462.25	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002822; 0.0000152]	Pa×s	[536.46; 891.82]	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			-1.55073e+01
Coefficient B			3.93466e+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.			536.46
Temperature range, max.			891.82
η	0.0002822	Pa×s	536.46	Calculated Property
η	0.0001707	Pa×s	575.94	Calculated Property
η	0.0001101	Pa×s	615.43	Calculated Property
η	0.0000749	Pa×s	654.91	Calculated Property
η	0.0000532	Pa×s	694.40	Calculated Property
η	0.0000392	Pa×s	733.88	Calculated Property
η	0.0000298	Pa×s	773.37	Calculated Property
η	0.0000233	Pa×s	812.85	Calculated Property
η	0.0000186	Pa×s	852.34	Calculated Property
η	0.0000152	Pa×s	891.82	Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, hept-3-yl pentadecyl ester.

Sources

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

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