Chemical Properties of 4-Sec-butyl-2,6-dicyclohexylphenol (CAS 52938-79-1)

InChI

InChI=1S/C22H34O/c1-3-16(2)19-14-20(17-10-6-4-7-11-17)22(23)21(15-19)18-12-8-5-9-13-18/h14-18,23H,3-13H2,1-2H3

InChI Key

IUPNCOGRTZRLMM-UHFFFAOYSA-N

Formula

C22H34O

SMILES

CCC(C)c1cc(C2CCCCC2)c(O)c(C2CCCCC2)c1

Molecular Weight¹

314.50

CAS

52938-79-1

• 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	[360.37; 1022.83]	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			-1.64229e+02
Coefficient B			2.30064e+00
Coefficient C			-1.49168e-03
Coefficient D			3.78100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	360.37	J/mol×K	273.00	Calculated Property
Cp,gas	479.73	J/mol×K	353.78	Calculated Property
Cp,gas	584.87	J/mol×K	434.56	Calculated Property
Cp,gas	676.97	J/mol×K	515.33	Calculated Property
Cp,gas	757.23	J/mol×K	596.11	Calculated Property
Cp,gas	826.86	J/mol×K	676.89	Calculated Property
Cp,gas	887.03	J/mol×K	757.67	Calculated Property
Cp,gas	938.95	J/mol×K	838.44	Calculated Property
Cp,gas	983.82	J/mol×K	919.22	Calculated Property
Cp,gas	1022.83	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002644; 0.0000073]	Pa×s	[500.64; 772.77]	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			-1.84490e+01
Coefficient B			5.11200e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			500.64
Temperature range, max.			772.77
η	0.0002644	Pa×s	500.64	Calculated Property
η	0.0001478	Pa×s	530.88	Calculated Property
η	0.0000880	Pa×s	561.11	Calculated Property
η	0.0000552	Pa×s	591.35	Calculated Property
η	0.0000363	Pa×s	621.59	Calculated Property
η	0.0000248	Pa×s	651.83	Calculated Property
η	0.0000175	Pa×s	682.06	Calculated Property
η	0.0000127	Pa×s	712.30	Calculated Property
η	0.0000095	Pa×s	742.54	Calculated Property
η	0.0000073	Pa×s	772.77	Calculated Property

Similar Compounds

Find more compounds similar to 4-Sec-butyl-2,6-dicyclohexylphenol.

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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