Chemical Properties of 1,3-Benzenediol, 4-bromo- (CAS 6626-15-9)

InChI

InChI=1S/C6H5BrO2/c7-5-2-1-4(8)3-6(5)9/h1-3,8-9H

InChI Key

MPCCNXGZCOXPMG-UHFFFAOYSA-N

Formula

C6H5BrO2

SMILES

Oc1ccc(Br)c(O)c1

Molecular Weight¹

189.01

CAS

6626-15-9

Other Names

• 1-Bromo-2,4-dihydroxybenzene
• 4-Bromo-1,3-dihydroxybenzene
• 4-Bromoresorcinol
• Resorcinol, 4-bromo-

• 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).
• IE : Ionization energy (eV).
• 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_boilr : Boiling point at reduced pressure (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 vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[123.27; 264.26]	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			-4.61200e+01
Coefficient B			8.42300e-01
Coefficient C			-9.17920e-04
Coefficient D			3.86000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	123.27	J/mol×K	273.00	Calculated Property
Cp,gas	154.07	J/mol×K	353.78	Calculated Property
Cp,gas	178.24	J/mol×K	434.56	Calculated Property
Cp,gas	197.00	J/mol×K	515.33	Calculated Property
Cp,gas	211.57	J/mol×K	596.11	Calculated Property
Cp,gas	223.16	J/mol×K	676.89	Calculated Property
Cp,gas	233.01	J/mol×K	757.67	Calculated Property
Cp,gas	242.33	J/mol×K	838.44	Calculated Property
Cp,gas	252.34	J/mol×K	919.22	Calculated Property
Cp,gas	264.26	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001699; 0.0000092]	Pa×s	[467.04; 598.05]	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			-2.19962e+01
Coefficient B			6.21916e+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.			467.04
Temperature range, max.			598.05
η	0.0001699	Pa×s	467.04	Calculated Property
η	0.0001136	Pa×s	481.60	Calculated Property
η	0.0000778	Pa×s	496.15	Calculated Property
η	0.0000544	Pa×s	510.71	Calculated Property
η	0.0000388	Pa×s	525.27	Calculated Property
η	0.0000282	Pa×s	539.82	Calculated Property
η	0.0000209	Pa×s	554.38	Calculated Property
η	0.0000157	Pa×s	568.94	Calculated Property
η	0.0000119	Pa×s	583.49	Calculated Property
η	0.0000092	Pa×s	598.05	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Benzenediol, 4-bromo-.

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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