Chemical Properties of PHENOL, 2,6-DIBROMO-, ACETATE

InChI

InChI=1S/C8H6Br2O2/c1-5(11)12-8-6(9)3-2-4-7(8)10/h2-4H,1H3

InChI Key

PMNMDWCAAWUBOG-UHFFFAOYSA-N

Formula

C8H6Br2O2

SMILES

CC(=O)Oc1c(Br)cccc1Br

Molecular Weight¹

293.94

Other Names

• 2,6-Dibromophenyl acetate
• Acetic acid, 2,6-dibromophenyl ester

• 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).
• 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).
• 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, 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	[167.35; 333.70]	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			3.21000e+01
Coefficient B			5.87520e-01
Coefficient C			-3.56720e-04
Coefficient D			7.08000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	167.35	J/mol×K	273.00	Calculated Property
Cp,gas	198.44	J/mol×K	353.78	Calculated Property
Cp,gas	225.86	J/mol×K	434.56	Calculated Property
Cp,gas	249.82	J/mol×K	515.33	Calculated Property
Cp,gas	270.56	J/mol×K	596.11	Calculated Property
Cp,gas	288.30	J/mol×K	676.89	Calculated Property
Cp,gas	303.26	J/mol×K	757.67	Calculated Property
Cp,gas	315.66	J/mol×K	838.44	Calculated Property
Cp,gas	325.74	J/mol×K	919.22	Calculated Property
Cp,gas	333.70	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012535; 0.0002253]	Pa×s	[393.31; 600.89]	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			-1.16496e+01
Coefficient B			1.95390e+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.			393.31
Temperature range, max.			600.89
η	0.0012535	Pa×s	393.31	Calculated Property
η	0.0009520	Pa×s	416.37	Calculated Property
η	0.0007441	Pa×s	439.44	Calculated Property
η	0.0005962	Pa×s	462.50	Calculated Property
η	0.0004878	Pa×s	485.57	Calculated Property
η	0.0004064	Pa×s	508.63	Calculated Property
η	0.0003440	Pa×s	531.70	Calculated Property
η	0.0002953	Pa×s	554.76	Calculated Property
η	0.0002566	Pa×s	577.83	Calculated Property
η	0.0002253	Pa×s	600.89	Calculated Property

Similar Compounds

Find more compounds similar to PHENOL, 2,6-DIBROMO-, 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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