1-Triazene, 1,3-diphenyl-
- Formula: C12H11N3
- Molecular weight: 197.2358
- IUPAC Standard InChI: InChI=1S/C12H11N3/c1-3-7-11(8-4-1)13-15-14-12-9-5-2-6-10-12/h1-10H,(H,13,14)
- IUPAC Standard InChIKey: ALIFPGGMJDWMJH-UHFFFAOYSA-N
- CAS Registry Number: 136-35-6
- 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. - Species with the same structure:
- Other names: Diazoaminobenzene; Aniline, N-(phenylazo)-; 1,3-Diphenyltriazene; Triazene, 1,3-diphenyl-; 1,3-Diphenyltriazine; Cellofor; Diazoaminobenzen; Diazoaminobenzol; DAAB; NSC 2077
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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°solid | 331.6 ± 1.4 | kJ/mol | Ccb | Fagley, Klein, et al., 1953 | Reanalyzed by Cox and Pilcher, 1970, Original value = 330.7 kJ/mol |
| ΔfH°solid | 411. | kJ/mol | Ccb | Lemoult, 1906 | Author value for hf298-condensed=91.5 kcal/mol |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -6562.6 | kJ/mol | Ccb | Handrick, 1956 | |
| ΔcH°solid | -6631.2 | kJ/mol | Ccb | Handrick, 1956 | Picatinny Arsenal Letter ORDBB-TM1 471.86/2-74 |
| ΔcH°solid | -6625.8 ± 1.3 | kJ/mol | Ccb | Fagley, Klein, et al., 1953 | Reanalyzed by Cox and Pilcher, 1970, Original value = -6622.4 ± 1.3 kJ/mol |
| ΔcH°solid | -6705.3 | kJ/mol | Ccb | Lemoult, 1906 | Author value for hf298-condensed=91.5 kcal/mol |
Reaction 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
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
=
By formula: C12H11N3 = C12H11N3
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 141. ± 12. | kJ/mol | Cpha | Scaiano, Chen, et al., 1991 | liquid phase; solvent: Toluene |
Mass spectrum (electron ionization)
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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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | NIST Mass Spectrometry Data Center, 1998. |
| NIST MS number | 291155 |
References
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Fagley, Klein, et al., 1953
Fagley, T.F.; Klein, E.; Albrecht, J.F., Jr.,
The heats of combustion of diazoaminobenzene, benzotriazole and 2-triazoethanol,
J. Am. Chem. Soc., 1953, 75, 3104-31. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Lemoult, 1906
Lemoult, M.P.,
Thermochimie. - Chaleur de combustion et de formation de quelques composes cycliques azotes,
Compt. Rend., 1906, 143, 772-775. [all data]
Handrick, 1956
Handrick, G.R.,
Report of the study of pure explosive compounds. Part IV. Calculation of heat of combustion of organic compounds from structural features and calculation of power of high explosives, Rpt. C-58247 for the Office of the Chief of Ordnance, contract DA-19-020-ORD-47 by the Arthur D. Little, Inc., Cambridge, MA, 1956, 467-573. [all data]
Scaiano, Chen, et al., 1991
Scaiano, J.C.; Chen, C.; McGarry, P.F.,
A flash photolysis and optoacoustic calorimetry study of the cis-trans isomerization of 1,3-diphenyltriazene,
J. Photochem. Photobiol. A. Chem., 1991, 62, 75-81. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Mass spectrum (electron ionization), References
- Symbols used in this document:
ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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