3,5-Dimethylpyrazole

• Formula: C₅H₈N₂
• Molecular weight: 96.1304
• IUPAC Standard InChI: InChI=1S/C5H8N2/c1-4-3-5(2)7-6-4/h3H,1-2H3,(H,6,7) Copy

  
• IUPAC Standard InChIKey: SDXAWLJRERMRKF-UHFFFAOYSA-N Copy
• CAS Registry Number: 67-51-6
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: 1H-Pyrazole, 3,5-dimethyl-; Pyrazole, 3,5-dimethyl-; TH 564; U 6245; 3,5 DMP; 3,5-Dwumetylopirazolu; 3,5-Dimethyl-1H-pyrazole; 1(H)-3,5-Dimethylpyrazole; NSC 8729
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Phase change data
  • Reaction thermochemistry data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
  • Gas Chromatography
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
• Options:
  • Switch to SI units

Data at NIST subscription sites:

• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.

Gas phase ion energetics data

Go To: Top, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LL - Sharon G. Lias and Joel F. Liebman

Ionization energy determinations

De-protonation reactions

C₅H₇N₂^- +  =

By formula: C₅H₇N₂^- + H⁺ = C₅H₈N₂

References

Go To: Top, Gas phase ion energetics data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Lichtenberger, Copenhaver, et al., 1988
Lichtenberger, D.L.; Copenhaver, A.S.; Gray, H.B.; Marshall, J.L.; Hopkins, M.D., Valence electronic structure of bis(Pyrazolyl)-bridged iridium dicarbonyl dimers. Electronic effects of 3,5-dimethylpyraxzolyl substitution on metal-metal interactions, Inorg. Chem., 1988, 27, 4488. [all data]

Taft, 1987
Taft, R.W., The Nature and Analysis of Substitutent Electronic Effects, Personal communication. See also Prog. Phys. Org. Chem., 1987, 16, 1. [all data]

Notes

Go To: Top, Gas phase ion energetics data, References

• Symbols used in this document:
  

  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
• The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
• Customer support for NIST Standard Reference Data products.