Chemical Properties of Methanone, (2,4-dihydroxyphenyl)(4-hydroxyphenyl)-

InChI

InChI=1S/C13H10O4/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(15)7-12(11)16/h1-7,14-16H

InChI Key

OKJFKPFBSPZTAH-UHFFFAOYSA-N

Formula

C13H10O4

SMILES

O=C(c1ccc(O)cc1)c1ccc(O)cc1O

Molecular Weight¹

230.22

Other Names

• Benzophenone, 2,4,4'-trihydroxy-
• 2,4-Dihydroxyphenyl p-hydroxybenzyl ketone
• 2,4,4'-Trihydroxybenzophenone

• 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_fusH : Enthalpy of fusion at a given temperature (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).
• 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 vaporization at standard conditions, 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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[218.34; 509.24]	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			-9.61400e+01
Coefficient B			1.51680e+00
Coefficient C			-1.49618e-03
Coefficient D			5.84760e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	218.34	J/mol×K	273.00	Calculated Property
Cp,gas	279.10	J/mol×K	353.78	Calculated Property
Cp,gas	328.44	J/mol×K	434.56	Calculated Property
Cp,gas	368.21	J/mol×K	515.33	Calculated Property
Cp,gas	400.24	J/mol×K	596.11	Calculated Property
Cp,gas	426.40	J/mol×K	676.89	Calculated Property
Cp,gas	448.53	J/mol×K	757.67	Calculated Property
Cp,gas	468.48	J/mol×K	838.44	Calculated Property
Cp,gas	488.10	J/mol×K	919.22	Calculated Property
Cp,gas	509.24	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000005; 7.5013138e-08]	Pa×s	[674.20; 781.94]	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			-2.84090e+01
Coefficient B			9.38589e+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.			674.20
Temperature range, max.			781.94
η	0.0000005	Pa×s	674.20	Calculated Property
η	0.0000004	Pa×s	686.17	Calculated Property
η	0.0000003	Pa×s	698.14	Calculated Property
η	0.0000003	Pa×s	710.11	Calculated Property
η	0.0000002	Pa×s	722.08	Calculated Property
η	0.0000002	Pa×s	734.05	Calculated Property
η	0.0000001	Pa×s	746.03	Calculated Property
η	0.0000001	Pa×s	758.00	Calculated Property
η	9.0403510e-08	Pa×s	769.97	Calculated Property
η	7.5013138e-08	Pa×s	781.94	Calculated Property

Similar Compounds

Find more compounds similar to Methanone, (2,4-dihydroxyphenyl)(4-hydroxyphenyl)-.

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.