Benzene, 1-bromo-4-methoxy-
- Formula: C7H7BrO
- Molecular weight: 187.034
- IUPAC Standard InChIKey: QJPJQTDYNZXKQF-UHFFFAOYSA-N
- CAS Registry Number: 104-92-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Anisole, p-bromo-; p-Anisyl bromide; p-Bromanisole; p-Bromoanisole; p-Bromophenyl methyl ether; p-Methoxybromobenzene; p-Methoxyphenyl bromide; Anisyl bromide; 1-Bromo-4-methoxybenzene; 4-Bromoanisole; 4-Methoxy-1-bromobenzene; 4-Methoxybromobenzene; 4-Methoxyphenyl bromide; 4-Bromoanisol; p-Bromoanisol; 4-Anisyl bromide; NSC 8042; p-Bromomethoxybenzene
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Phase change data
Go To: Top, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 496.2 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
Tboil | 488.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 13.9 ± 0.29 | kcal/mol | C | Ribeiro da Silva and Lobo Ferreira, 2009 | AC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
11.7 | 333. | Stull, 1947 | Based on data from 318. to 496. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
317.9 to 496. | 5.37842 | 2722.26 | 10.592 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Gas Chromatography
Go To: Top, Phase change data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | Apolane | 150. | 1212. | Evans and Haken, 1987 | He, Chromosorb G AW DCMS; Column length: 3.7 m |
Packed | Apolane | 150. | 1212. | Haken and Vernon, 1986 | Chromosorb G AW DCMS; Column length: 3.7 m |
Packed | Apiezon L | 130. | 1224. | Cook and Raushel, 1972 | He, Chromosorb W AW DMCS (80-100 mesh) |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | Carbowax 20M | 150. | 1706. | Haken and Vernon, 1986 | Chromosorb G AW DCMS; Column length: 3.7 m; Column diameter: 6.4 mm |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | VF-5MS | 1212.7 | Tret'yakov, 2007 | 30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C |
References
Go To: Top, Phase change data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Ribeiro da Silva and Lobo Ferreira, 2009
Ribeiro da Silva, Manuel A.V.; Lobo Ferreira, Ana I.M.C.,
Experimental and computational study on the molecular energetics of monobromoanisole isomers,
The Journal of Chemical Thermodynamics, 2009, 41, 4, 499-505, https://doi.org/10.1016/j.jct.2008.11.008
. [all data]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [all data]
Evans and Haken, 1987
Evans, M.B.; Haken, J.K.,
Dispersion and selectivity indices of the halogenated derivatives of cyclohexane, benzene and anisole,
J. Chromatogr., 1987, 389, 240-244, https://doi.org/10.1016/S0021-9673(01)94428-0
. [all data]
Haken and Vernon, 1986
Haken, J.K.; Vernon, F.,
Gas chromatography of halogenated derivatives of cyclohexane, benzene and anisole,
J. Chromatogr., 1986, 361, 57-61, https://doi.org/10.1016/S0021-9673(01)86893-X
. [all data]
Cook and Raushel, 1972
Cook, L.E.; Raushel, F.M.,
Calculation of retention indices for benzene and benzene derivatives on the basis of molecular structure,
J. Chromatogr., 1972, 65, 3, 556-559, https://doi.org/10.1016/S0021-9673(00)85001-3
. [all data]
Tret'yakov, 2007
Tret'yakov, K.V.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2007. [all data]
Notes
Go To: Top, Phase change data, Gas Chromatography, References
- Symbols used in this document:
Tboil Boiling point ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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