Chemical Properties of Phthalic acid, 3,3-dimethylbut-2-yl isohexyl ester

InChI

InChI=1S/C20H30O4/c1-14(2)10-9-13-23-18(21)16-11-7-8-12-17(16)19(22)24-15(3)20(4,5)6/h7-8,11-12,14-15H,9-10,13H2,1-6H3

InChI Key

ASXIHOZXNTWIPE-UHFFFAOYSA-N

Formula

C20H30O4

SMILES

CC(C)CCCOC(=O)c1ccccc1C(=O)OC(C)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).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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	[405.64; 948.34]	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			-1.19170e+01
Coefficient B			1.79352e+00
Coefficient C			-1.01736e-03
Coefficient D			1.84100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	405.64	J/mol×K	273.00	Calculated Property
Cp,gas	503.41	J/mol×K	353.78	Calculated Property
Cp,gas	590.46	J/mol×K	434.56	Calculated Property
Cp,gas	667.36	J/mol×K	515.33	Calculated Property
Cp,gas	734.70	J/mol×K	596.11	Calculated Property
Cp,gas	793.06	J/mol×K	676.89	Calculated Property
Cp,gas	843.02	J/mol×K	757.67	Calculated Property
Cp,gas	885.17	J/mol×K	838.44	Calculated Property
Cp,gas	920.08	J/mol×K	919.22	Calculated Property
Cp,gas	948.34	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013888; 0.0000506]	Pa×s	[411.18; 704.53]	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			-1.45355e+01
Coefficient B			3.27142e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			411.18
Temperature range, max.			704.53
η	0.0013888	Pa×s	411.18	Calculated Property
η	0.0007742	Pa×s	443.77	Calculated Property
η	0.0004675	Pa×s	476.37	Calculated Property
η	0.0003012	Pa×s	508.96	Calculated Property
η	0.0002045	Pa×s	541.56	Calculated Property
η	0.0001452	Pa×s	574.15	Calculated Property
η	0.0001069	Pa×s	606.74	Calculated Property
η	0.0000812	Pa×s	639.34	Calculated Property
η	0.0000634	Pa×s	671.93	Calculated Property
η	0.0000506	Pa×s	704.53	Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 3,3-dimethylbut-2-yl isohexyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.