Chemical Properties of Phenol, 2,6-dibromo- (CAS 608-33-3)

InChI

InChI=1S/C6H4Br2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H

InChI Key

SSIZLKDLDKIHEV-UHFFFAOYSA-N

Formula

C6H4Br2O

SMILES

Oc1c(Br)cccc1Br

Molecular Weight¹

251.90

CAS

608-33-3

Other Names

• 2,6-Dibromophenol

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-33.81	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	83.40	kJ/mol	Thermochemical study of three dibromophenol isomers
ΔvapH°	68.62	kJ/mol	Relay (1.0) Calculated Property
IE	8.42	eV	Relay (1.0) Calculated Property
log10WS	-2.67		Relay (1.0) Calculated Property
logPoct/wat	2.917		Crippen Calculated Property
McVol	112.510	ml/mol	McGowan Calculated Property
Inp	[1333.00; 1386.00]
Inp	1378.00		NIST
Inp	1386.00		NIST
Inp	1333.00		NIST
Inp	1378.00		NIST
I	[2365.00; 2370.00]
I	2365.00		NIST
I	2365.00		NIST
I	2370.00		NIST
Tboil	499.18	K	Relay (1.0) Calculated Property
Tc	786.30	K	Relay (1.0) Calculated Property
Tfus	351.47	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[199.13; 231.54]	J/mol×K	[581.28; 849.80]
Cp,gas	199.13	J/mol×K	581.28	Joback Calculated Property
Cp,gas	205.80	J/mol×K	626.03	Joback Calculated Property
Cp,gas	211.78	J/mol×K	670.79	Joback Calculated Property
Cp,gas	217.20	J/mol×K	715.54	Joback Calculated Property
Cp,gas	222.21	J/mol×K	760.29	Joback Calculated Property
Cp,gas	226.94	J/mol×K	805.05	Joback Calculated Property
Cp,gas	231.54	J/mol×K	849.80	Joback Calculated Property
η	[0.0000641; 0.0007319]	Pa×s	[427.64; 581.28]
η	0.0007319	Pa×s	427.64	Joback Calculated Property
η	0.0004349	Pa×s	453.25	Joback Calculated Property
η	0.0002732	Pa×s	478.85	Joback Calculated Property
η	0.0001800	Pa×s	504.46	Joback Calculated Property
η	0.0001234	Pa×s	530.07	Joback Calculated Property
η	0.0000876	Pa×s	555.67	Joback Calculated Property
η	0.0000641	Pa×s	581.28	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Phenol, 2,6-dibromo-.

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
• Thermochemical study of three dibromophenol isomers
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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