Chemical Properties of Isophthalic acid, di(3,3-dimethylbut-2-yl) ester

InChI

InChI=1S/C20H30O4/c1-13(19(3,4)5)23-17(21)15-10-9-11-16(12-15)18(22)24-14(2)20(6,7)8/h9-14H,1-8H3

InChI Key

NCIPBKKHYNJWNP-UHFFFAOYSA-N

Formula

C20H30O4

SMILES

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

Molecular Weight¹

334.45

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[404.18; 949.81]	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			-3.63900e+01
Coefficient B			1.91936e+00
Coefficient C			-1.18916e-03
Coefficient D			2.56000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	404.18	J/mol×K	273.00	Calculated Property
Cp,gas	505.14	J/mol×K	353.78	Calculated Property
Cp,gas	594.13	J/mol×K	434.56	Calculated Property
Cp,gas	671.95	J/mol×K	515.33	Calculated Property
Cp,gas	739.42	J/mol×K	596.11	Calculated Property
Cp,gas	797.35	J/mol×K	676.89	Calculated Property
Cp,gas	846.54	J/mol×K	757.67	Calculated Property
Cp,gas	887.81	J/mol×K	838.44	Calculated Property
Cp,gas	921.96	J/mol×K	919.22	Calculated Property
Cp,gas	949.81	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013902; 0.0000408]	Pa×s	[413.60; 707.70]	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			-1.50695e+01
Coefficient B			3.51196e+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.			413.60
Temperature range, max.			707.70
η	0.0013902	Pa×s	413.60	Calculated Property
η	0.0007466	Pa×s	446.28	Calculated Property
η	0.0004364	Pa×s	478.95	Calculated Property
η	0.0002732	Pa×s	511.63	Calculated Property
η	0.0001809	Pa×s	544.31	Calculated Property
η	0.0001256	Pa×s	576.99	Calculated Property
η	0.0000906	Pa×s	609.66	Calculated Property
η	0.0000676	Pa×s	642.34	Calculated Property
η	0.0000519	Pa×s	675.02	Calculated Property
η	0.0000408	Pa×s	707.70	Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, di(3,3-dimethylbut-2-yl) ester.

Sources

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

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