Chemical Properties of Bis(4-tert-butyl-2-methylphenyl) phthalate

InChI

InChI=1S/C30H34O4/c1-19-17-21(29(3,4)5)13-15-25(19)33-27(31)23-11-9-10-12-24(23)28(32)34-26-16-14-22(18-20(26)2)30(6,7)8/h9-18H,1-8H3

InChI Key

JIQXNNGUGZEDSN-UHFFFAOYSA-N

Formula

C30H34O4

SMILES

Cc1cc(C(C)(C)C)ccc1OC(=O)c1ccccc1C(=O)Oc1ccc(C(C)(C)C)cc1C

Molecular Weight¹

458.60

• 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).
• 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).
• 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 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	[512.63; 1215.43]	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			-5.27300e+01
Coefficient B			2.46176e+00
Coefficient C			-1.52100e-03
Coefficient D			3.27400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	512.63	J/mol×K	273.00	Calculated Property
Cp,gas	642.32	J/mol×K	353.78	Calculated Property
Cp,gas	756.68	J/mol×K	434.56	Calculated Property
Cp,gas	856.77	J/mol×K	515.33	Calculated Property
Cp,gas	943.62	J/mol×K	596.11	Calculated Property
Cp,gas	1018.26	J/mol×K	676.89	Calculated Property
Cp,gas	1081.72	J/mol×K	757.67	Calculated Property
Cp,gas	1135.05	J/mol×K	838.44	Calculated Property
Cp,gas	1179.27	J/mol×K	919.22	Calculated Property
Cp,gas	1215.43	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000798; 0.0000112]	Pa×s	[659.22; 948.19]	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			-1.58678e+01
Coefficient B			4.23972e+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.			659.22
Temperature range, max.			948.19
η	0.0000798	Pa×s	659.22	Calculated Property
η	0.0000592	Pa×s	691.33	Calculated Property
η	0.0000451	Pa×s	723.44	Calculated Property
η	0.0000351	Pa×s	755.54	Calculated Property
η	0.0000279	Pa×s	787.65	Calculated Property
η	0.0000226	Pa×s	819.76	Calculated Property
η	0.0000186	Pa×s	851.87	Calculated Property
η	0.0000155	Pa×s	883.98	Calculated Property
η	0.0000131	Pa×s	916.09	Calculated Property
η	0.0000112	Pa×s	948.19	Calculated Property

Similar Compounds

Find more compounds similar to Bis(4-tert-butyl-2-methylphenyl) phthalate.

Sources

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

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