Chemical Properties of 4'-Chloro-2-hydroxy-5-t-octylbenzophenone

InChI

InChI=1S/C21H25ClO2/c1-4-5-6-13-21(2,3)16-9-12-19(23)18(14-16)20(24)15-7-10-17(22)11-8-15/h7-12,14,23H,4-6,13H2,1-3H3

InChI Key

OAOKLKRAKFBTQB-UHFFFAOYSA-N

Formula

C21H25ClO2

SMILES

CCCCCC(C)(C)c1ccc(O)c(C(=O)c2ccc(Cl)cc2)c1

Molecular Weight¹

344.88

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, Ionization energy, 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	[371.32; 880.78]	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			-6.85560e+01
Coefficient B			1.98126e+00
Coefficient C			-1.47678e-03
Coefficient D			4.44860e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	371.32	J/mol×K	273.00	Calculated Property
Cp,gas	467.24	J/mol×K	353.78	Calculated Property
Cp,gas	550.04	J/mol×K	434.56	Calculated Property
Cp,gas	621.15	J/mol×K	515.33	Calculated Property
Cp,gas	681.96	J/mol×K	596.11	Calculated Property
Cp,gas	733.88	J/mol×K	676.89	Calculated Property
Cp,gas	778.31	J/mol×K	757.67	Calculated Property
Cp,gas	816.67	J/mol×K	838.44	Calculated Property
Cp,gas	850.36	J/mol×K	919.22	Calculated Property
Cp,gas	880.78	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000570; 0.0000055]	Pa×s	[598.30; 805.82]	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			-1.88368e+01
Coefficient B			5.42295e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			598.30
Temperature range, max.			805.82
η	0.0000570	Pa×s	598.30	Calculated Property
η	0.0000407	Pa×s	621.36	Calculated Property
η	0.0000298	Pa×s	644.42	Calculated Property
η	0.0000223	Pa×s	667.47	Calculated Property
η	0.0000170	Pa×s	690.53	Calculated Property
η	0.0000132	Pa×s	713.59	Calculated Property
η	0.0000104	Pa×s	736.65	Calculated Property
η	0.0000083	Pa×s	759.70	Calculated Property
η	0.0000067	Pa×s	782.76	Calculated Property
η	0.0000055	Pa×s	805.82	Calculated Property

Similar Compounds

Find more compounds similar to 4'-Chloro-2-hydroxy-5-t-octylbenzophenone.

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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