Chemical Properties of 4-Bromo-2,6-di-sec-butyl phenol (CAS 64080-14-4)

InChI

InChI=1S/C14H21BrO/c1-5-9(3)12-7-11(15)8-13(14(12)16)10(4)6-2/h7-10,16H,5-6H2,1-4H3

InChI Key

JUVSQNQHCSZDIF-UHFFFAOYSA-N

Formula

C14H21BrO

SMILES

CCC(C)c1cc(Br)cc(C(C)CC)c1O

Molecular Weight¹

285.22

CAS

64080-14-4

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[280.56; 649.56]	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			-1.92380e+01
Coefficient B			1.34058e+00
Coefficient C			-9.69080e-04
Coefficient D			2.97300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	280.56	J/mol×K	273.00	Calculated Property
Cp,gas	346.90	J/mol×K	353.78	Calculated Property
Cp,gas	404.72	J/mol×K	434.56	Calculated Property
Cp,gas	454.94	J/mol×K	515.33	Calculated Property
Cp,gas	498.51	J/mol×K	596.11	Calculated Property
Cp,gas	536.38	J/mol×K	676.89	Calculated Property
Cp,gas	569.48	J/mol×K	757.67	Calculated Property
Cp,gas	598.74	J/mol×K	838.44	Calculated Property
Cp,gas	625.13	J/mol×K	919.22	Calculated Property
Cp,gas	649.56	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005563; 0.0000218]	Pa×s	[440.52; 649.59]	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			-1.75567e+01
Coefficient B			4.43278e+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.			440.52
Temperature range, max.			649.59
η	0.0005563	Pa×s	440.52	Calculated Property
η	0.0003361	Pa×s	463.75	Calculated Property
η	0.0002130	Pa×s	486.98	Calculated Property
η	0.0001407	Pa×s	510.21	Calculated Property
η	0.0000964	Pa×s	533.44	Calculated Property
η	0.0000682	Pa×s	556.67	Calculated Property
η	0.0000495	Pa×s	579.90	Calculated Property
η	0.0000369	Pa×s	603.13	Calculated Property
η	0.0000281	Pa×s	626.36	Calculated Property
η	0.0000218	Pa×s	649.59	Calculated Property

Similar Compounds

Find more compounds similar to 4-Bromo-2,6-di-sec-butyl phenol.

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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