Chemical Properties of Bis[4-(1,1-dimethylhexyl)phenyl] isophthalate

InChI

InChI=1S/C36H46O4/c1-7-9-11-24-35(3,4)29-16-20-31(21-17-29)39-33(37)27-14-13-15-28(26-27)34(38)40-32-22-18-30(19-23-32)36(5,6)25-12-10-8-2/h13-23,26H,7-12,24-25H2,1-6H3

InChI Key

IXLRPTGKJNYECR-UHFFFAOYSA-N

Formula

C36H46O4

SMILES

CCCCCC(C)(C)c1ccc(OC(=O)c2cccc(C(=O)Oc3ccc(C(C)(C)CCCCC)cc3)c2)cc1

Molecular Weight¹

542.76

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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 Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[634.81; 1531.06]	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			-8.67820e+01
Coefficient B			3.15072e+00
Coefficient C			-1.98148e-03
Coefficient D			4.48600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	634.81	J/mol×K	273.00	Calculated Property
Cp,gas	799.74	J/mol×K	353.78	Calculated Property
Cp,gas	945.01	J/mol×K	434.56	Calculated Property
Cp,gas	1072.06	J/mol×K	515.33	Calculated Property
Cp,gas	1182.31	J/mol×K	596.11	Calculated Property
Cp,gas	1277.16	J/mol×K	676.89	Calculated Property
Cp,gas	1358.04	J/mol×K	757.67	Calculated Property
Cp,gas	1426.38	J/mol×K	838.44	Calculated Property
Cp,gas	1483.57	J/mol×K	919.22	Calculated Property
Cp,gas	1531.06	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000415; 0.0000040]	Pa×s	[701.80; 1055.46]	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			-1.70813e+01
Coefficient B			4.90720e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			701.80
Temperature range, max.			1055.46
η	0.0000415	Pa×s	701.80	Calculated Property
η	0.0000287	Pa×s	741.10	Calculated Property
η	0.0000205	Pa×s	780.39	Calculated Property
η	0.0000152	Pa×s	819.69	Calculated Property
η	0.0000116	Pa×s	858.98	Calculated Property
η	0.0000090	Pa×s	898.28	Calculated Property
η	0.0000072	Pa×s	937.58	Calculated Property
η	0.0000058	Pa×s	976.87	Calculated Property
η	0.0000048	Pa×s	1016.17	Calculated Property
η	0.0000040	Pa×s	1055.46	Calculated Property

Similar Compounds

Find more compounds similar to Bis[4-(1,1-dimethylhexyl)phenyl] isophthalate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.