Chemical Properties of Benzene, (2-bromoethoxy)- (CAS 589-10-6)

InChI

InChI=1S/C8H9BrO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7H2

InChI Key

JJFOBACUIRKUPN-UHFFFAOYSA-N

Formula

C8H9BrO

SMILES

BrCCOc1ccccc1

Molecular Weight¹

201.06

CAS

589-10-6

Other Names

• (2-Bromoethoxy)benzene
• 1-Bromo-2-phenoxyethane
• 2-Bromoethyl phenyl ether
• 2-Phenoxyethyl bromide
• NSC 8055
• Phenetole, «beta»-bromo-
• beta-Phenoxyethyl bromide
• «beta»-Bromophenetole
• «beta»-Phenoxyethyl bromide

• ω : Acentric Factor.
• 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).
• P_c : Critical Pressure (kPa).
• 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
ω	0.5221		Relay (1.0) Calculated Property
ΔfH°gas	-83.11	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.99	kJ/mol	Joback Calculated Property
ΔvapH°	58.50	kJ/mol	Relay (1.0) Calculated Property
IE	[8.42; 8.49]	eV
IE	8.42	eV	NIST
IE	8.49 ± 0.05	eV	NIST
log10WS	-2.59		Relay (1.0) Calculated Property
logPoct/wat	2.460		Crippen Calculated Property
McVol	123.190	ml/mol	McGowan Calculated Property
Pc	3891.64	kPa	Joback Calculated Property
Tboil	508.09	K	Relay (1.0) Calculated Property
Tc	728.90	K	Relay (1.0) Calculated Property
Tfus	279.86	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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	[235.02; 295.63]	J/mol×K	[497.90; 724.00]
Cp,gas	235.02	J/mol×K	497.90	Joback Calculated Property
Cp,gas	246.88	J/mol×K	535.58	Joback Calculated Property
Cp,gas	257.99	J/mol×K	573.27	Joback Calculated Property
Cp,gas	268.39	J/mol×K	610.95	Joback Calculated Property
Cp,gas	278.12	J/mol×K	648.63	Joback Calculated Property
Cp,gas	287.18	J/mol×K	686.31	Joback Calculated Property
Cp,gas	295.63	J/mol×K	724.00	Joback Calculated Property
η	[0.0002491; 0.0022365]	Pa×s	[288.37; 497.90]
η	0.0022365	Pa×s	288.37	Joback Calculated Property
η	0.0012732	Pa×s	323.29	Joback Calculated Property
η	0.0008090	Pa×s	358.21	Joback Calculated Property
η	0.0005571	Pa×s	393.13	Joback Calculated Property
η	0.0004078	Pa×s	428.06	Joback Calculated Property
η	0.0003128	Pa×s	462.98	Joback Calculated Property
η	0.0002491	Pa×s	497.90	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Benzene, (2-bromoethoxy)-.

Sources

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

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