Chemical Properties of 6-Bromo-2,4-di-t-amyl phenol (CAS 116434-86-7)

InChI

InChI=1S/C16H25BrO/c1-7-15(3,4)11-9-12(16(5,6)8-2)14(18)13(17)10-11/h9-10,18H,7-8H2,1-6H3

InChI Key

POBZXGQWUVREEL-UHFFFAOYSA-N

Formula

C16H25BrO

SMILES

CCC(C)(C)c1cc(Br)c(O)c(C(C)(C)CC)c1

Molecular Weight¹

313.27

CAS

116434-86-7

• 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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, 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	[320.70; 754.60]	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			-6.66380e+01
Coefficient B			1.77042e+00
Coefficient C			-1.41508e-03
Coefficient D			4.65900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	320.70	J/mol×K	273.00	Calculated Property
Cp,gas	403.22	J/mol×K	353.78	Calculated Property
Cp,gas	473.72	J/mol×K	434.56	Calculated Property
Cp,gas	533.68	J/mol×K	515.33	Calculated Property
Cp,gas	584.57	J/mol×K	596.11	Calculated Property
Cp,gas	627.87	J/mol×K	676.89	Calculated Property
Cp,gas	665.05	J/mol×K	757.67	Calculated Property
Cp,gas	697.58	J/mol×K	838.44	Calculated Property
Cp,gas	726.94	J/mol×K	919.22	Calculated Property
Cp,gas	754.60	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001906; 0.0000124]	Pa×s	[497.90; 682.93]	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			-1.86609e+01
Coefficient B			5.02654e+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.			497.90
Temperature range, max.			682.93
η	0.0001906	Pa×s	497.90	Calculated Property
η	0.0001277	Pa×s	518.46	Calculated Property
η	0.0000882	Pa×s	539.02	Calculated Property
η	0.0000626	Pa×s	559.58	Calculated Property
η	0.0000456	Pa×s	580.13	Calculated Property
η	0.0000339	Pa×s	600.69	Calculated Property
η	0.0000257	Pa×s	621.25	Calculated Property
η	0.0000198	Pa×s	641.81	Calculated Property
η	0.0000155	Pa×s	662.37	Calculated Property
η	0.0000124	Pa×s	682.93	Calculated Property

Similar Compounds

Find more compounds similar to 6-Bromo-2,4-di-t-amyl 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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