Chemical Properties of 1-(4-Tert-butylphenyl) 2-phenyl phthalate

InChI

InChI=1S/C24H22O4/c1-24(2,3)17-13-15-19(16-14-17)28-23(26)21-12-8-7-11-20(21)22(25)27-18-9-5-4-6-10-18/h4-16H,1-3H3

InChI Key

VDWFGIANGMAWOH-UHFFFAOYSA-N

Formula

C24H22O4

SMILES

CC(C)(C)c1ccc(OC(=O)c2ccccc2C(=O)Oc2ccccc2)cc1

Molecular Weight¹

374.44

• ω : Acentric Factor.
• 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_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 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	[379.16; 913.54]	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			-6.57000e+01
Coefficient B			1.94436e+00
Coefficient C			-1.22392e-03
Coefficient D			2.58800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	379.16	J/mol×K	273.00	Calculated Property
Cp,gas	480.45	J/mol×K	353.78	Calculated Property
Cp,gas	569.35	J/mol×K	434.56	Calculated Property
Cp,gas	646.68	J/mol×K	515.33	Calculated Property
Cp,gas	713.26	J/mol×K	596.11	Calculated Property
Cp,gas	769.90	J/mol×K	676.89	Calculated Property
Cp,gas	817.44	J/mol×K	757.67	Calculated Property
Cp,gas	856.68	J/mol×K	838.44	Calculated Property
Cp,gas	888.44	J/mol×K	919.22	Calculated Property
Cp,gas	913.54	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002975; 0.0000316]	Pa×s	[551.62; 841.92]	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			-1.46246e+01
Coefficient B			3.58800e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			551.62
Temperature range, max.			841.92
η	0.0002975	Pa×s	551.62	Calculated Property
η	0.0002077	Pa×s	583.88	Calculated Property
η	0.0001506	Pa×s	616.13	Calculated Property
η	0.0001127	Pa×s	648.39	Calculated Property
η	0.0000867	Pa×s	680.64	Calculated Property
η	0.0000683	Pa×s	712.90	Calculated Property
η	0.0000549	Pa×s	745.16	Calculated Property
η	0.0000450	Pa×s	777.41	Calculated Property
η	0.0000374	Pa×s	809.67	Calculated Property
η	0.0000316	Pa×s	841.92	Calculated Property

Similar Compounds

Find more compounds similar to 1-(4-Tert-butylphenyl) 2-phenyl phthalate.

Sources

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

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