Chemical Properties of 4,4'-Biphenylbis(glyoxal-2-hydrate)

InChI

InChI=1S/C16H14O6/c17-13(15(19)20)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(18)16(21)22/h1-8,15-16,19-22H

InChI Key

DDPNUFITOMENNU-UHFFFAOYSA-N

Formula

C16H14O6

SMILES

O=C(c1ccc(-c2ccc(C(=O)C(O)O)cc2)cc1)C(O)O

Molecular Weight¹

302.28

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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 formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[286.72; 655.45]	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			-1.83500e+01
Coefficient B			1.33880e+00
Coefficient C			-8.65520e-04
Coefficient D			2.00520e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	286.72	J/mol×K	273.00	Calculated Property
Cp,gas	355.84	J/mol×K	353.78	Calculated Property
Cp,gas	416.44	J/mol×K	434.56	Calculated Property
Cp,gas	469.17	J/mol×K	515.33	Calculated Property
Cp,gas	514.64	J/mol×K	596.11	Calculated Property
Cp,gas	553.49	J/mol×K	676.89	Calculated Property
Cp,gas	586.37	J/mol×K	757.67	Calculated Property
Cp,gas	613.90	J/mol×K	838.44	Calculated Property
Cp,gas	636.71	J/mol×K	919.22	Calculated Property
Cp,gas	655.45	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000058; 8.4264374e-08]	Pa×s	[661.10; 949.03]	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			-2.60126e+01
Coefficient B			9.22770e+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.			661.10
Temperature range, max.			949.03
η	0.0000058	Pa×s	661.10	Calculated Property
η	0.0000031	Pa×s	693.09	Calculated Property
η	0.0000017	Pa×s	725.08	Calculated Property
η	0.0000010	Pa×s	757.08	Calculated Property
η	0.0000006	Pa×s	789.07	Calculated Property
η	0.0000004	Pa×s	821.06	Calculated Property
η	0.0000003	Pa×s	853.05	Calculated Property
η	0.0000002	Pa×s	885.04	Calculated Property
η	0.0000001	Pa×s	917.03	Calculated Property
η	8.4264374e-08	Pa×s	949.03	Calculated Property

Similar Compounds

Find more compounds similar to 4,4'-Biphenylbis(glyoxal-2-hydrate).

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

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