Chemical Properties of Benzophenone, 5-chloro-4-dodecyloxy-2-hydroxy-4'-methoxy-

InChI

InChI=1S/C26H35ClO4/c1-3-4-5-6-7-8-9-10-11-12-17-31-25-19-24(28)22(18-23(25)27)26(29)20-13-15-21(30-2)16-14-20/h13-16,18-19,28H,3-12,17H2,1-2H3

InChI Key

ZBNHYEUPICXLEK-UHFFFAOYSA-N

Formula

C26H35ClO4

SMILES

CCCCCCCCCCCCOc1cc(O)c(C(=O)c2ccc(OC)cc2)cc1Cl

Molecular Weight¹

447.01

• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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	[512.20; 1171.23]	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			1.66710e+01
Coefficient B			2.14454e+00
Coefficient C			-1.28794e-03
Coefficient D			2.97960e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	512.20	J/mol×K	273.00	Calculated Property
Cp,gas	627.36	J/mol×K	353.78	Calculated Property
Cp,gas	729.83	J/mol×K	434.56	Calculated Property
Cp,gas	820.57	J/mol×K	515.33	Calculated Property
Cp,gas	900.50	J/mol×K	596.11	Calculated Property
Cp,gas	970.59	J/mol×K	676.89	Calculated Property
Cp,gas	1031.76	J/mol×K	757.67	Calculated Property
Cp,gas	1084.96	J/mol×K	838.44	Calculated Property
Cp,gas	1131.14	J/mol×K	919.22	Calculated Property
Cp,gas	1171.23	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000104; 0.0000015]	Pa×s	[709.21; 925.19]	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			-1.97164e+01
Coefficient B			5.84613e+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.			709.21
Temperature range, max.			925.19
η	0.0000104	Pa×s	709.21	Calculated Property
η	0.0000079	Pa×s	733.21	Calculated Property
η	0.0000062	Pa×s	757.21	Calculated Property
η	0.0000049	Pa×s	781.20	Calculated Property
η	0.0000039	Pa×s	805.20	Calculated Property
η	0.0000032	Pa×s	829.20	Calculated Property
η	0.0000026	Pa×s	853.20	Calculated Property
η	0.0000021	Pa×s	877.20	Calculated Property
η	0.0000018	Pa×s	901.20	Calculated Property
η	0.0000015	Pa×s	925.19	Calculated Property

Similar Compounds

Find more compounds similar to Benzophenone, 5-chloro-4-dodecyloxy-2-hydroxy-4'-methoxy-.

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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