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

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

• 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[147.33; 341.10]	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			-4.59800e+00
Coefficient B			6.59900e-01
Coefficient C			-4.03000e-04
Coefficient D			8.88000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	147.33	J/mol×K	273.00	Calculated Property
Cp,gas	182.35	J/mol×K	353.78	Calculated Property
Cp,gas	213.35	J/mol×K	434.56	Calculated Property
Cp,gas	240.60	J/mol×K	515.33	Calculated Property
Cp,gas	264.38	J/mol×K	596.11	Calculated Property
Cp,gas	284.98	J/mol×K	676.89	Calculated Property
Cp,gas	302.66	J/mol×K	757.67	Calculated Property
Cp,gas	317.73	J/mol×K	838.44	Calculated Property
Cp,gas	330.45	J/mol×K	919.22	Calculated Property
Cp,gas	341.10	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022365; 0.0002362]	Pa×s	[288.37; 506.80]	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			-1.13184e+01
Coefficient B			1.50401e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			288.37
Temperature range, max.			506.80
η	0.0022365	Pa×s	288.37	Calculated Property
η	0.0014919	Pa×s	312.64	Calculated Property
η	0.0010550	Pa×s	336.91	Calculated Property
η	0.0007816	Pa×s	361.18	Calculated Property
η	0.0006013	Pa×s	385.45	Calculated Property
η	0.0004772	Pa×s	409.72	Calculated Property
η	0.0003887	Pa×s	433.99	Calculated Property
η	0.0003235	Pa×s	458.26	Calculated Property
η	0.0002743	Pa×s	482.53	Calculated Property
η	0.0002362	Pa×s	506.80	Calculated Property

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

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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