Chemical Properties of Phenol, 2-bromo- (CAS 95-56-7)

InChI

InChI=1S/C6H5BrO/c7-5-3-1-2-4-6(5)8/h1-4,8H

InChI Key

VADKRMSMGWJZCF-UHFFFAOYSA-N

Formula

C6H5BrO

SMILES

Oc1ccccc1Br

Molecular Weight¹

173.01

CAS

95-56-7

Other Names

• 2-Bromfenol
• 2-bromophenol
• Phenol, o-bromo-
• o-bromophenol

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4725		Relay (1.0) Calculated Property
ΔfG°	-28.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-53.50	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.41	kJ/mol	Joback Calculated Property
ΔvapH°	55.50 ± 1.30	kJ/mol	NIST
IE	9.10 ± 0.10	eV	NIST
log10WS	-1.46		Relay (1.0) Calculated Property
logPoct/wat	2.155		Crippen Calculated Property
McVol	95.010	ml/mol	McGowan Calculated Property
Pc	6451.51	kPa	Joback Calculated Property
Inp	[1039.00; 1065.00]
Inp	1043.50		NIST
Inp	1060.00		NIST
Inp	1065.00		NIST
Inp	1064.00		NIST
Inp	1039.00		NIST
Inp	1065.00		NIST
Inp	1064.00		NIST
Inp	1039.00		NIST
Inp	1043.50		NIST
Inp	1065.00		NIST
Tboil	467.70	K	NIST
Tc	756.62	K	Relay (1.0) Calculated Property
Tfus	283.23	K	Relay (1.0) Calculated Property
Vc	0.311	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[175.07; 214.62]	J/mol×K	[510.34; 762.27]
Cp,gas	175.07	J/mol×K	510.34	Joback Calculated Property
Cp,gas	183.43	J/mol×K	552.33	Joback Calculated Property
Cp,gas	190.93	J/mol×K	594.32	Joback Calculated Property
Cp,gas	197.69	J/mol×K	636.30	Joback Calculated Property
Cp,gas	203.81	J/mol×K	678.29	Joback Calculated Property
Cp,gas	209.42	J/mol×K	720.28	Joback Calculated Property
Cp,gas	214.62	J/mol×K	762.27	Joback Calculated Property
η	[0.0001092; 0.0025966]	Pa×s	[355.32; 510.34]
η	0.0025966	Pa×s	355.32	Joback Calculated Property
η	0.0012803	Pa×s	381.16	Joback Calculated Property
η	0.0006906	Pa×s	406.99	Joback Calculated Property
η	0.0004010	Pa×s	432.83	Joback Calculated Property
η	0.0002476	Pa×s	458.67	Joback Calculated Property
η	0.0001609	Pa×s	484.50	Joback Calculated Property
η	0.0001092	Pa×s	510.34	Joback Calculated Property
ΔvapH	55.50	kJ/mol	298.15	Gas phase enthalpies of formation of monobromophenols

Similar Compounds

Find more compounds similar to Phenol, 2-bromo-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Gas phase enthalpies of formation of monobromophenols
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.