Chemical Properties of Benzophenone, 3,3',4,4',5-pentamethoxy-

InChI

InChI=1S/C18H20O6/c1-20-13-7-6-11(8-14(13)21-2)17(19)12-9-15(22-3)18(24-5)16(10-12)23-4/h6-10H,1-5H3

InChI Key

LEGVQFQAMCUMQW-UHFFFAOYSA-N

Formula

C18H20O6

SMILES

COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC

Molecular Weight¹

332.35

• 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).
• 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 formation at standard conditions, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[363.52; 777.23]	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			1.25070e+02
Coefficient B			9.14600e-01
Coefficient C			-1.08900e-04
Coefficient D			-1.53540e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	363.52	J/mol×K	273.00	Calculated Property
Cp,gas	428.21	J/mol×K	353.78	Calculated Property
Cp,gas	489.35	J/mol×K	434.56	Calculated Property
Cp,gas	546.46	J/mol×K	515.33	Calculated Property
Cp,gas	599.05	J/mol×K	596.11	Calculated Property
Cp,gas	646.64	J/mol×K	676.89	Calculated Property
Cp,gas	688.74	J/mol×K	757.67	Calculated Property
Cp,gas	724.86	J/mol×K	838.44	Calculated Property
Cp,gas	754.52	J/mol×K	919.22	Calculated Property
Cp,gas	777.23	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001664; 0.0000527]	Pa×s	[569.14; 753.77]	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			-1.33968e+01
Coefficient B			2.67250e+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.			569.14
Temperature range, max.			753.77
η	0.0001664	Pa×s	569.14	Calculated Property
η	0.0001413	Pa×s	589.65	Calculated Property
η	0.0001213	Pa×s	610.17	Calculated Property
η	0.0001052	Pa×s	630.68	Calculated Property
η	0.0000921	Pa×s	651.20	Calculated Property
η	0.0000812	Pa×s	671.71	Calculated Property
η	0.0000722	Pa×s	692.22	Calculated Property
η	0.0000646	Pa×s	712.74	Calculated Property
η	0.0000582	Pa×s	733.25	Calculated Property
η	0.0000527	Pa×s	753.77	Calculated Property

Similar Compounds

Find more compounds similar to Benzophenone, 3,3',4,4',5-pentamethoxy-.

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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