Chemical Properties of Benzene, 1-(2-bromoethyl)-4-methoxy- (CAS 14425-64-0)

InChI

InChI=1S/C9H11BrO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6-7H2,1H3

InChI Key

OXHPTABOQVHKLN-UHFFFAOYSA-N

Formula

C9H11BrO

SMILES

COc1ccc(CCBr)cc1

Molecular Weight¹

215.09

CAS

14425-64-0

Other Names

• Anisole, p-(2-bromoethyl)-
• p-(2-Bromoethyl)anisole
• p-Methoxyphenethyl bromide
• p-Methoxyphenylethyl bromide
• 4-Methoxyphenethyl bromide
• 1-(2-Bromoethyl)-4-methoxybenzene
• 1-Bromo-2-(4-methoxyphenyl)ethane

• 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[171.09; 389.65]	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			8.79200e+00
Coefficient B			6.95420e-01
Coefficient C			-3.90360e-04
Coefficient D			7.58000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	171.09	J/mol×K	273.00	Calculated Property
Cp,gas	209.32	J/mol×K	353.78	Calculated Property
Cp,gas	243.50	J/mol×K	434.56	Calculated Property
Cp,gas	273.87	J/mol×K	515.33	Calculated Property
Cp,gas	300.68	J/mol×K	596.11	Calculated Property
Cp,gas	324.17	J/mol×K	676.89	Calculated Property
Cp,gas	344.57	J/mol×K	757.67	Calculated Property
Cp,gas	362.12	J/mol×K	838.44	Calculated Property
Cp,gas	377.07	J/mol×K	919.22	Calculated Property
Cp,gas	389.65	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016608; 0.0002235]	Pa×s	[312.16; 524.40]	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			-1.13559e+01
Coefficient B			1.54691e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			312.16
Temperature range, max.			524.40
η	0.0016608	Pa×s	312.16	Calculated Property
η	0.0011726	Pa×s	335.74	Calculated Property
η	0.0008666	Pa×s	359.32	Calculated Property
η	0.0006648	Pa×s	382.91	Calculated Property
η	0.0005259	Pa×s	406.49	Calculated Property
η	0.0004269	Pa×s	430.07	Calculated Property
η	0.0003541	Pa×s	453.65	Calculated Property
η	0.0002992	Pa×s	477.23	Calculated Property
η	0.0002568	Pa×s	500.82	Calculated Property
η	0.0002235	Pa×s	524.40	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-(2-bromoethyl)-4-methoxy-.

Sources

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

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