Chemical Properties of Benzene, 1-bromo-4-ethoxy- (CAS 588-96-5)

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

CAS

588-96-5

Other Names

• Phenetole, p-bromo-
• p-Bromophenetole
• p-Bromophenol ethyl ether
• p-Ethoxybromobenzene
• p-Ethoxyphenyl bromide
• 4-Bromophenetole
• 1-Bromo-4-ethoxybenzene
• p-Bromoethoxybenzene
• NSC 8053

• 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).
• 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
ΔfG°	28.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-89.28	kJ/mol	Joback Calculated Property
ΔfusH°	16.60	kJ/mol	Joback Calculated Property
ΔvapH°	45.19	kJ/mol	Joback Calculated Property
log10WS	-3.17		Crippen 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	729.96	K	Joback Calculated Property
Tfus	300.89	K	Joback Calculated Property
Vc	0.456	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[234.74; 293.82]	J/mol×K	[502.68; 729.96]
Cp,gas	234.74	J/mol×K	502.68	Joback Calculated Property
Cp,gas	246.19	J/mol×K	540.56	Joback Calculated Property
Cp,gas	256.97	J/mol×K	578.44	Joback Calculated Property
Cp,gas	267.10	J/mol×K	616.32	Joback Calculated Property
Cp,gas	276.60	J/mol×K	654.20	Joback Calculated Property
Cp,gas	285.51	J/mol×K	692.08	Joback Calculated Property
Cp,gas	293.82	J/mol×K	729.96	Joback Calculated Property
η	[0.0002401; 0.0016679]	Pa×s	[300.89; 502.68]
η	0.0016679	Pa×s	300.89	Joback Calculated Property
η	0.0010265	Pa×s	334.52	Joback Calculated Property
η	0.0006903	Pa×s	368.15	Joback Calculated Property
η	0.0004961	Pa×s	401.78	Joback Calculated Property
η	0.0003752	Pa×s	435.42	Joback Calculated Property
η	0.0002954	Pa×s	469.05	Joback Calculated Property
η	0.0002401	Pa×s	502.68	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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