Chemical Properties of o-Hydroxydibenzoylmethane (CAS 1469-94-9)

InChI

InChI=1S/C15H12O3/c16-13-9-5-4-8-12(13)15(18)10-14(17)11-6-2-1-3-7-11/h1-9,16H,10H2

InChI Key

OABFIJGAEVKMJP-UHFFFAOYSA-N

Formula

C15H12O3

SMILES

O=C(CC(=O)c1ccccc1O)c1ccccc1

Molecular Weight¹

240.25

CAS

1469-94-9

Other Names

• 1,3-Propanedione, 1-(2-hydroxyphenyl)-3-phenyl-
• 1,3-Propanedione, 1-(o-hydroxyphenyl)-3-phenyl-
• 1-(2-Hydroxyphenyl)-3-phenyl-1,3-propanedione
• 2-Hydroxydibenzoylmethane

• 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).
• 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 Pressure, 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	[227.91; 556.60]	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			-7.27590e+01
Coefficient B			1.36960e+00
Coefficient C			-1.07356e-03
Coefficient D			3.33320e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	227.91	J/mol×K	273.00	Calculated Property
Cp,gas	292.17	J/mol×K	353.78	Calculated Property
Cp,gas	347.03	J/mol×K	434.56	Calculated Property
Cp,gas	393.55	J/mol×K	515.33	Calculated Property
Cp,gas	432.79	J/mol×K	596.11	Calculated Property
Cp,gas	465.80	J/mol×K	676.89	Calculated Property
Cp,gas	493.63	J/mol×K	757.67	Calculated Property
Cp,gas	517.34	J/mol×K	838.44	Calculated Property
Cp,gas	537.98	J/mol×K	919.22	Calculated Property
Cp,gas	556.60	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002361; 0.0000182]	Pa×s	[523.23; 726.55]	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			-1.75153e+01
Coefficient B			4.79484e+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.			523.23
Temperature range, max.			726.55
η	0.0002361	Pa×s	523.23	Calculated Property
η	0.0001616	Pa×s	545.82	Calculated Property
η	0.0001139	Pa×s	568.41	Calculated Property
η	0.0000825	Pa×s	591.00	Calculated Property
η	0.0000612	Pa×s	613.60	Calculated Property
η	0.0000464	Pa×s	636.19	Calculated Property
η	0.0000358	Pa×s	658.78	Calculated Property
η	0.0000281	Pa×s	681.37	Calculated Property
η	0.0000225	Pa×s	703.96	Calculated Property
η	0.0000182	Pa×s	726.55	Calculated Property

Similar Compounds

Find more compounds similar to o-Hydroxydibenzoylmethane.

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.
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