Chemical Properties of Phenol, 3-bromo- (CAS 591-20-8)

InChI

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

InChI Key

MNOJRWOWILAHAV-UHFFFAOYSA-N

Formula

C6H5BrO

SMILES

Oc1cccc(Br)c1

Molecular Weight¹

173.01

CAS

591-20-8

Other Names

• Phenol, m-bromo-
• m-Bromophenol
• 3-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	0.4821		Relay (1.0) Calculated Property
ΔfG°	-28.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-59.38	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.41	kJ/mol	Joback Calculated Property
ΔvapH°	70.82	kJ/mol	Relay (1.0) Calculated Property
IE	8.74	eV	Relay (1.0) Calculated Property
log10WS	-1.33		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	[1255.00; 1312.00]
Inp	Outlier 1312.00		NIST
Inp	1270.00		NIST
Inp	1256.10		NIST
Inp	1260.00		NIST
Inp	1262.00		NIST
Inp	1255.00		NIST
Inp	1270.00		NIST
Inp	1270.00		NIST
Inp	1270.00		NIST
Inp	Outlier 1312.00		NIST
Inp	1256.10		NIST
Inp	1255.00		NIST
Tboil	509.70	K	NIST
Tc	766.33	K	Relay (1.0) Calculated Property
Tfus	316.25	K	Relay (1.0) Calculated Property
Vc	0.305	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	73.50	kJ/mol	460.00	NIST

Similar Compounds

Find more compounds similar to Phenol, 3-bromo-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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