Chemical Properties of 3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-benzofuran-1-one (CAS 125-20-2)

InChI

InChI=1S/C28H30O4/c1-15(2)20-13-23(17(5)11-25(20)29)28(22-10-8-7-9-19(22)27(31)32-28)24-14-21(16(3)4)26(30)12-18(24)6/h7-16,29-30H,1-6H3

InChI Key

LDKDGDIWEUUXSH-UHFFFAOYSA-N

Formula

C28H30O4

SMILES

Cc1cc(O)c(C(C)C)cc1C1(c2cc(C(C)C)c(O)cc2C)OC(=O)c2ccccc21

Molecular Weight¹

430.54

CAS

125-20-2

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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, 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	[472.35; 1130.63]	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			-1.38570e+02
Coefficient B			2.85792e+00
Coefficient C			-2.52792e-03
Coefficient D			9.39200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	472.35	J/mol×K	273.00	Calculated Property
Cp,gas	597.69	J/mol×K	353.78	Calculated Property
Cp,gas	703.06	J/mol×K	434.56	Calculated Property
Cp,gas	791.41	J/mol×K	515.33	Calculated Property
Cp,gas	865.72	J/mol×K	596.11	Calculated Property
Cp,gas	928.97	J/mol×K	676.89	Calculated Property
Cp,gas	984.11	J/mol×K	757.67	Calculated Property
Cp,gas	1034.12	J/mol×K	838.44	Calculated Property
Cp,gas	1081.97	J/mol×K	919.22	Calculated Property
Cp,gas	1130.63	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-benzofuran-1-one.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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