Chemical Properties of Terephthalic acid, butyl 2-decyl ester

InChI

InChI=1S/C22H34O4/c1-4-6-8-9-10-11-12-18(3)26-22(24)20-15-13-19(14-16-20)21(23)25-17-7-5-2/h13-16,18H,4-12,17H2,1-3H3

InChI Key

DQLZQRFWSNIHCQ-UHFFFAOYSA-N

Formula

C22H34O4

SMILES

CCCCCCCCC(C)OC(=O)c1ccc(C(=O)OCCCC)cc1

Molecular Weight¹

362.50

• 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	[449.84; 1049.52]	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			1.24200e+01
Coefficient B			1.85176e+00
Coefficient C			-9.51160e-04
Coefficient D			1.36500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	449.84	J/mol×K	273.00	Calculated Property
Cp,gas	554.53	J/mol×K	353.78	Calculated Property
Cp,gas	648.70	J/mol×K	434.56	Calculated Property
Cp,gas	732.78	J/mol×K	515.33	Calculated Property
Cp,gas	807.20	J/mol×K	596.11	Calculated Property
Cp,gas	872.39	J/mol×K	676.89	Calculated Property
Cp,gas	928.79	J/mol×K	757.67	Calculated Property
Cp,gas	976.82	J/mol×K	838.44	Calculated Property
Cp,gas	1016.92	J/mol×K	919.22	Calculated Property
Cp,gas	1049.52	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008617; 0.0000526]	Pa×s	[446.30; 734.34]	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			-1.41849e+01
Coefficient B			3.18138e+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.			446.30
Temperature range, max.			734.34
η	0.0008617	Pa×s	446.30	Calculated Property
η	0.0005348	Pa×s	478.30	Calculated Property
η	0.0003524	Pa×s	510.31	Calculated Property
η	0.0002439	Pa×s	542.31	Calculated Property
η	0.0001759	Pa×s	574.32	Calculated Property
η	0.0001313	Pa×s	606.32	Calculated Property
η	0.0001009	Pa×s	638.32	Calculated Property
η	0.0000796	Pa×s	670.33	Calculated Property
η	0.0000641	Pa×s	702.33	Calculated Property
η	0.0000526	Pa×s	734.34	Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, butyl 2-decyl ester.

Sources

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

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