Chemical Properties of Isophthalic acid, 3,3-dimethylbut-2-yl hexyl ester

InChI

InChI=1S/C20H30O4/c1-6-7-8-9-13-23-18(21)16-11-10-12-17(14-16)19(22)24-15(2)20(3,4)5/h10-12,14-15H,6-9,13H2,1-5H3

InChI Key

GYEUYTUDVHNSIQ-UHFFFAOYSA-N

Formula

C20H30O4

SMILES

CCCCCCOC(=O)c1cccc(C(=O)OC(C)C(C)(C)C)c1

Molecular Weight¹

334.46

• 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	[405.95; 947.80]	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			-1.02350e+01
Coefficient B			1.78760e+00
Coefficient C			-1.01416e-03
Coefficient D			1.84600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	405.95	J/mol×K	273.00	Calculated Property
Cp,gas	503.42	J/mol×K	353.78	Calculated Property
Cp,gas	590.21	J/mol×K	434.56	Calculated Property
Cp,gas	666.91	J/mol×K	515.33	Calculated Property
Cp,gas	734.10	J/mol×K	596.11	Calculated Property
Cp,gas	792.36	J/mol×K	676.89	Calculated Property
Cp,gas	842.27	J/mol×K	757.67	Calculated Property
Cp,gas	884.43	J/mol×K	838.44	Calculated Property
Cp,gas	919.41	J/mol×K	919.22	Calculated Property
Cp,gas	947.81	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010982; 0.0000553]	Pa×s	[426.18; 703.10]	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			-1.44015e+01
Coefficient B			3.23360e+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.			426.18
Temperature range, max.			703.10
η	0.0010982	Pa×s	426.18	Calculated Property
η	0.0006589	Pa×s	456.95	Calculated Property
η	0.0004216	Pa×s	487.72	Calculated Property
η	0.0002845	Pa×s	518.49	Calculated Property
η	0.0002006	Pa×s	549.26	Calculated Property
η	0.0001468	Pa×s	580.03	Calculated Property
η	0.0001108	Pa×s	610.80	Calculated Property
η	0.0000860	Pa×s	641.56	Calculated Property
η	0.0000683	Pa×s	672.33	Calculated Property
η	0.0000553	Pa×s	703.10	Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, 3,3-dimethylbut-2-yl hexyl ester.

Sources

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

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