Benzene, (bromomethyl)-
- Formula: C7H7Br
- Molecular weight: 171.034
- IUPAC Standard InChIKey: AGEZXYOZHKGVCM-UHFFFAOYSA-N
- CAS Registry Number: 100-39-0
- 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: Benzyl bromide; Toluene, α-bromo-; α-Bromotoluene; ω-Bromotoluene; (Bromomethyl)benzene; Bromophenylmethane; 1-Bromotoluene; Bromotoluene, α; UN 1737; NSC 8041; Phenylmethyl bromide
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Phase change data
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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
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 471.7 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
Tboil | 471. | K | N/A | Buckingham and Donaghy, 1982 | BS |
Tboil | 471. | K | N/A | Buckingham and Donaghy, 1982 | BS |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 271.75 | K | N/A | Ashcroft, 1976 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 12.7 ± 0.2 | kcal/mol | GS | Krasnykh, Vasiltsova, et al., 2002 | Based on data from 284. to 306. K.; AC |
ΔvapH° | 12.8 | kcal/mol | CGC | Krasnykh, Vasiltsova, et al., 2002 | AC |
ΔvapH° | 12.1 ± 0.1 | kcal/mol | N/A | Ashcroft, 1976, 2 | AC |
ΔvapH° | 11.3 ± 1.0 | kcal/mol | V | Benson and Buss, 1957 | ALS |
Reduced pressure boiling point
Tboil (K) | Pressure (atm) | Reference | Comment |
---|---|---|---|
400. | 0.11 | Buckingham and Donaghy, 1982 | BS |
400. | 0.11 | Buckingham and Donaghy, 1982 | BS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
11.2 | 320. | A | Stephenson and Malanowski, 1987 | Based on data from 305. to 472. K. See also Stull, 1947 and Dykyj, Svoboda, et al., 1999.; AC |
11.5 | 355. | I,A | Ashcroft, 1976, 2 | Based on data from 340. to 409. K. See also Stephenson and Malanowski, 1987.; 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 |
---|---|---|---|---|---|
305.4 to 471.7 | 4.66771 | 2043.135 | -34.57 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
3.15 | 271.8 | Ashcroft, 1976, 2 | AC |
References
Go To: Top, Phase change data, 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]
Buckingham and Donaghy, 1982
Buckingham, J.; Donaghy, S.M.,
Dictionary of Organic Compounds: Fifth Edition, Chapman and Hall, New York, 1982, 1. [all data]
Ashcroft, 1976
Ashcroft, S.J.,
J. Chem. Eng. Data, 1976, 21, 397. [all data]
Krasnykh, Vasiltsova, et al., 2002
Krasnykh, Eugen L.; Vasiltsova, Tatiana V.; Verevkin, Sergey P.; Heintz, Andreas,
Vapor Pressures and Enthalpies of Vaporization of Benzyl Halides and Benzyl Ethers,
J. Chem. Eng. Data, 2002, 47, 6, 1372-1378, https://doi.org/10.1021/je020034h
. [all data]
Ashcroft, 1976, 2
Ashcroft, Stanley J.,
Vapor pressures and enthalpies of vaporization of benzyl halides,
J. Chem. Eng. Data, 1976, 21, 4, 397-398, https://doi.org/10.1021/je60071a009
. [all data]
Benson and Buss, 1957
Benson, S.W.; Buss, J.H.,
The thermodynamics of bromination of toluene and the heat of formation of the benzyl radical,
J. Phys. Chem., 1957, 61, 104-109. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [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]
Dykyj, Svoboda, et al., 1999
Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.L.; Hall, K.R.,
Vapor Pressure of Chemicals: Part A. Vapor Pressure and Antoine Constants for Hydrocarbons and Sulfur, Selenium, Tellurium and Hydrogen Containing Organic Compounds, Springer, Berlin, 1999, 373. [all data]
Notes
Go To: Top, Phase change data, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔfusH Enthalpy of fusion 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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