Chemical Properties of Benzophenone, 2,4-dihydroxy-4-benzoate (CAS 18803-25-3)

InChI

InChI=1S/C20H14O4/c21-18-13-16(24-20(23)15-9-5-2-6-10-15)11-12-17(18)19(22)14-7-3-1-4-8-14/h1-13,21H

InChI Key

CNAILFQALPMJFF-UHFFFAOYSA-N

Formula

C20H14O4

SMILES

O=C(Oc1ccc(C(=O)c2ccccc2)c(O)c1)c1ccccc1

Molecular Weight¹

318.32

CAS

18803-25-3

• 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, 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	[294.69; 712.08]	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			-7.88600e+01
Coefficient B			1.67940e+00
Coefficient C			-1.23382e-03
Coefficient D			3.45360e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	294.69	J/mol×K	273.00	Calculated Property
Cp,gas	376.14	J/mol×K	353.78	Calculated Property
Cp,gas	446.28	J/mol×K	434.56	Calculated Property
Cp,gas	506.19	J/mol×K	515.33	Calculated Property
Cp,gas	556.97	J/mol×K	596.11	Calculated Property
Cp,gas	599.71	J/mol×K	676.89	Calculated Property
Cp,gas	635.49	J/mol×K	757.67	Calculated Property
Cp,gas	665.42	J/mol×K	838.44	Calculated Property
Cp,gas	690.59	J/mol×K	919.22	Calculated Property
Cp,gas	712.08	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000549; 0.0000049]	Pa×s	[610.92; 840.06]	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			-1.86349e+01
Coefficient B			5.39133e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			610.92
Temperature range, max.			840.06
η	0.0000549	Pa×s	610.92	Calculated Property
η	0.0000386	Pa×s	636.38	Calculated Property
η	0.0000278	Pa×s	661.84	Calculated Property
η	0.0000206	Pa×s	687.30	Calculated Property
η	0.0000156	Pa×s	712.76	Calculated Property
η	0.0000120	Pa×s	738.22	Calculated Property
η	0.0000094	Pa×s	763.68	Calculated Property
η	0.0000075	Pa×s	789.14	Calculated Property
η	0.0000060	Pa×s	814.60	Calculated Property
η	0.0000049	Pa×s	840.06	Calculated Property

Similar Compounds

Find more compounds similar to Benzophenone, 2,4-dihydroxy-4-benzoate.

Sources

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

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