Chemical Properties of PHENOL, 2,4,6-TRIBROMO-, ACETATE

InChI

InChI=1S/C8H5Br3O2/c1-4(12)13-8-6(10)2-5(9)3-7(8)11/h2-3H,1H3

InChI Key

SLENHFBXWIEZCY-UHFFFAOYSA-N

Formula

C8H5Br3O2

SMILES

CC(=O)Oc1c(Br)cc(Br)cc1Br

Molecular Weight¹

372.84

Other Names

• Acetic acid, 2,4,6-tribromophenyl ester
• 2,4,6-tribromophenyl acetate

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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, 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	[183.88; 339.73]	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			5.45900e+01
Coefficient B			5.66220e-01
Coefficient C			-3.61080e-04
Coefficient D			8.00000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	183.88	J/mol×K	273.00	Calculated Property
Cp,gas	213.26	J/mol×K	353.78	Calculated Property
Cp,gas	239.02	J/mol×K	434.56	Calculated Property
Cp,gas	261.44	J/mol×K	515.33	Calculated Property
Cp,gas	280.76	J/mol×K	596.11	Calculated Property
Cp,gas	297.23	J/mol×K	676.89	Calculated Property
Cp,gas	311.11	J/mol×K	757.67	Calculated Property
Cp,gas	322.65	J/mol×K	838.44	Calculated Property
Cp,gas	332.11	J/mol×K	919.22	Calculated Property
Cp,gas	339.73	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007943; 0.0001995]	Pa×s	[465.63; 659.59]	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			-1.18359e+01
Coefficient B			2.18742e+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.			465.63
Temperature range, max.			659.59
η	0.0007943	Pa×s	465.63	Calculated Property
η	0.0006452	Pa×s	487.18	Calculated Property
η	0.0005335	Pa×s	508.73	Calculated Property
η	0.0004479	Pa×s	530.28	Calculated Property
η	0.0003813	Pa×s	551.83	Calculated Property
η	0.0003285	Pa×s	573.39	Calculated Property
η	0.0002861	Pa×s	594.94	Calculated Property
η	0.0002516	Pa×s	616.49	Calculated Property
η	0.0002232	Pa×s	638.04	Calculated Property
η	0.0001995	Pa×s	659.59	Calculated Property

Similar Compounds

Find more compounds similar to PHENOL, 2,4,6-TRIBROMO-, ACETATE.

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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