1H-Pyrazole, 1-phenyl-
- Formula: C9H8N2
- Molecular weight: 144.1732
- IUPAC Standard InChIKey: WITMXBRCQWOZPX-UHFFFAOYSA-N
- CAS Registry Number: 1126-00-7
- 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: Pyrazole, 1-phenyl-; N-Phenylpyrazole; 1-Phenylpyrazole; 1-Phenyl-1H-pyrazole
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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
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔvapH° | 16.8 ± 0.81 | kcal/mol | C | Ribeiro da Silva, Ribeiro da Silva, et al., 2000 | AC |
Reduced pressure boiling point
Tboil (K) | Pressure (atm) | Reference | Comment |
---|---|---|---|
414.7 | 0.039 | Aldrich Chemical Company Inc., 1990 | BS |
IR Spectrum
Go To: Top, Phase change data, Mass spectrum (electron ionization), 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
Gas Phase Spectrum
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Additional Data
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Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Sadtler Research Labs Under US-EPA Contract |
State | gas |
Mass spectrum (electron ionization)
Go To: Top, Phase change data, IR Spectrum, 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
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
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 | V.A. KOPTYUG, VOL.4, ATLAS OF MASS SPECTRA OF ORGANIC COMPOUNDS |
NIST MS number | 73077 |
References
Go To: Top, Phase change data, IR Spectrum, 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.
Ribeiro da Silva, Ribeiro da Silva, et al., 2000
Ribeiro da Silva, Manuel A.V.; Ribeiro da Silva, Maria das Dores M.C.; Matos, M. Agostinha R.; Jiménez, Pilar; Victoria Roux, M.; Martin-Luengo, M.A.; Elguero, José; Claramunt, Rosa; Cabildo, Pilar,
Enthalpies of combustion, heat capacities,and enthalpies of vaporisation of 1-phenylimidazole and 1-phenylpyrazole,
The Journal of Chemical Thermodynamics, 2000, 32, 2, 237-245, https://doi.org/10.1006/jcht.1999.0605
. [all data]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Notes
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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