Benzene, (azidomethyl)-
- Formula: C7H7N3
- Molecular weight: 133.1506
- IUPAC Standard InChI: InChI=1S/C7H7N3/c8-10-9-6-7-4-2-1-3-5-7/h1-5H,6H2
- IUPAC Standard InChIKey: UDLLFLQFQMACJB-UHFFFAOYSA-N
- CAS Registry Number: 622-79-7
- 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: Toluene, α-azido-; α-Azidotoluene; (Azidomethyl)benzene; Benzyl azide; Toluene, alpha-triazo-
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Gas phase thermochemistry 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 416. ± 2. | kJ/mol | Ccb | Pepkin, Matyushin, et al., 1993 | Pepekin, Erlikh, et al., 1974 |
Condensed phase thermochemistry 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | 368. ± 1. | kJ/mol | Ccb | Pepkin, Matyushin, et al., 1993 | Pepekin, Erlikh, et al., 1974 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -4123. ± 1. | kJ/mol | Ccb | Pepkin, Matyushin, et al., 1993 | Pepekin, Erlikh, et al., 1974 |
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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔvapH° | 48.1 ± 0.4 | kJ/mol | V | Pepkin, Matyushin, et al., 1993 | Pepekin, Erlikh, et al., 1974; ALS |
| ΔvapH° | 48.0 | kJ/mol | N/A | Pepkin, Matyushin, et al., 1993 | DRB |
Reduced pressure boiling point
| Tboil (K) | Pressure (bar) | Reference | Comment |
|---|---|---|---|
| 355. to 358. | 0.021 | Frinton Laboratories Inc., 1986 | BS |
| 381. | 0.031 | Buckingham and Donaghy, 1982 | BS |
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 48.0 | 348. | A | Stephenson and Malanowski, 1987 | Based on data from 333. to 363. K.; AC |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Pepkin, Matyushin, et al., 1993
Pepkin, V.I.; Matyushin, Yu.N.; Khisamutdinov, G.Kh.; Slovetskii, V.I.; Fainzilberg, A.A.,
Thermochemical properties of α-azidopolynitroalkanes and the dissociation energy of C-N3 bonds in organic azides,
Khim. Fiz., 1993, 12, 1399-1403. [all data]
Pepekin, Erlikh, et al., 1974
Pepekin, V.I.; Erlikh, R.D.; Matyushin, Yu.N.; Lebedev, Yu.A.,
Dissociation energy of the C - N3 bond in triphenylazidomethane and benzyl and phenyl azides. Enghalpy of formation of triphenylmethyl radical,
Dokl. Phys. Chem. (Engl. Transl.), 1974, 214, 123-125. [all data]
Frinton Laboratories Inc., 1986
Frinton Laboratories Inc.,
Catalog Number 11, Frinton Laboratories Inc., Vineland, NJ, 1986, 99. [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]
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]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Tboil Boiling point ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions 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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