Chemical Properties of Phthalic acid, isohexyl 2-tert-butyl-6-methylphenyl ester

InChI

InChI=1S/C25H32O4/c1-17(2)11-10-16-28-23(26)19-13-7-8-14-20(19)24(27)29-22-18(3)12-9-15-21(22)25(4,5)6/h7-9,12-15,17H,10-11,16H2,1-6H3

InChI Key

YNRWOVREAWBHCV-UHFFFAOYSA-N

Formula

C25H32O4

SMILES

Cc1cccc(C(C)(C)C)c1OC(=O)c1ccccc1C(=O)OCCCC(C)C

Molecular Weight¹

396.52

• 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	[459.87; 1081.15]	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			-2.00870e+01
Coefficient B			2.06472e+00
Coefficient C			-1.18328e-03
Coefficient D			2.19800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	459.87	J/mol×K	273.00	Calculated Property
Cp,gas	572.00	J/mol×K	353.78	Calculated Property
Cp,gas	671.74	J/mol×K	434.56	Calculated Property
Cp,gas	759.77	J/mol×K	515.33	Calculated Property
Cp,gas	836.80	J/mol×K	596.11	Calculated Property
Cp,gas	903.51	J/mol×K	676.89	Calculated Property
Cp,gas	960.61	J/mol×K	757.67	Calculated Property
Cp,gas	1008.79	J/mol×K	838.44	Calculated Property
Cp,gas	1048.74	J/mol×K	919.22	Calculated Property
Cp,gas	1081.15	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002992; 0.0000271]	Pa×s	[533.99; 825.17]	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			-1.49223e+01
Coefficient B			3.63530e+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.			533.99
Temperature range, max.			825.17
η	0.0002992	Pa×s	533.99	Calculated Property
η	0.0002028	Pa×s	566.34	Calculated Property
η	0.0001433	Pa×s	598.70	Calculated Property
η	0.0001050	Pa×s	631.05	Calculated Property
η	0.0000793	Pa×s	663.40	Calculated Property
η	0.0000614	Pa×s	695.76	Calculated Property
η	0.0000487	Pa×s	728.11	Calculated Property
η	0.0000394	Pa×s	760.47	Calculated Property
η	0.0000324	Pa×s	792.82	Calculated Property
η	0.0000271	Pa×s	825.17	Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, isohexyl 2-tert-butyl-6-methylphenyl ester.

Sources

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

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