Chemical Properties of Benzene, 1-bromo-4-ethoxy-

InChI

InChI=1S/C8H9BrO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3

InChI Key

WVUYYXUATWMVIT-UHFFFAOYSA-N

Formula

C8H9BrO

SMILES

CCOc1ccc(Br)cc1

Molecular Weight¹

201.06

Other Names

• 1-Bromo-4-ethoxybenzene
• 4-Bromophenetole
• NSC 8053
• Phenetole, p-bromo-
• p-Bromoethoxybenzene
• p-Bromophenetole
• p-Bromophenol ethyl ether
• p-Ethoxybromobenzene
• p-Ethoxyphenyl 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4262		Relay (1.0) Calculated Property
ΔfH°gas	-110.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.60	kJ/mol	Joback Calculated Property
ΔvapH°	59.48	kJ/mol	Relay (1.0) Calculated Property
IE	8.20	eV	Relay (1.0) Calculated Property
log10WS	-3.52		Relay (1.0) Calculated Property
logPoct/wat	2.848		Crippen Calculated Property
McVol	123.190	ml/mol	McGowan Calculated Property
Pc	3819.82	kPa	Joback Calculated Property
Inp	[1244.00; 1244.00]
Inp	1244.00		NIST
Inp	1244.00		NIST
Tboil	506.20	K	NIST
Tc	706.81	K	Relay (1.0) Calculated Property
Tfus	277.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[149.88; 338.06]	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			9.70100e+00
Coefficient B			6.00420e-01
Coefficient C			-3.35960e-04
Coefficient D			6.39000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	149.88	J/mol×K	273.00	Calculated Property
Cp,gas	182.90	J/mol×K	353.78	Calculated Property
Cp,gas	212.42	J/mol×K	434.56	Calculated Property
Cp,gas	238.64	J/mol×K	515.33	Calculated Property
Cp,gas	261.77	J/mol×K	596.11	Calculated Property
Cp,gas	282.01	J/mol×K	676.89	Calculated Property
Cp,gas	299.55	J/mol×K	757.67	Calculated Property
Cp,gas	314.61	J/mol×K	838.44	Calculated Property
Cp,gas	327.38	J/mol×K	919.22	Calculated Property
Cp,gas	338.06	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025222; 0.0002289]	Pa×s	[277.15; 511.17]	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			-1.12244e+01
Coefficient B			1.45275e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			277.15
Temperature range, max.			511.17
η	0.0025222	Pa×s	277.15	Calculated Property
η	0.0016088	Pa×s	303.15	Calculated Property
η	0.0011018	Pa×s	329.16	Calculated Property
η	0.0007976	Pa×s	355.16	Calculated Property
η	0.0006034	Pa×s	381.16	Calculated Property
η	0.0004730	Pa×s	407.16	Calculated Property
η	0.0003818	Pa×s	433.17	Calculated Property
η	0.0003158	Pa×s	459.17	Calculated Property
η	0.0002665	Pa×s	485.17	Calculated Property
η	0.0002289	Pa×s	511.17	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-bromo-4-ethoxy-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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