- Formula: C5H8O2
- Molecular weight: 100.1158
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: YRKCREAYFQTBPV-UHFFFAOYSA-N
- CAS Registry Number: 123-54-6
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: 2,4-Pentanedione; Acetoacetone; Diacetylmethane; Pentane-2,4-dione; 2-Propanone, acetyl-; 2,4-Dioxopentane; 2,4-Pentadione; CH3COCH2COCH3; Acetone, acetyl-; ACAC; Pentanedione; Pentanedione-2,4; Acetyl 2-propanone; UN 2310; 2,4-Pentandione; Pentan-2,4-dione; NSC 5575
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Ion clustering data
Go To: Top, References, Notes
Data compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
+ = ( )
By formula: Cl- + C5H8O2 = (Cl- C5H8O2)
|rG°||56.07||kJ/mol||TDEq||French, Ikuta, et al., 1982||gas phase; B|
Free energy of reaction
|rG° (kJ/mol)||T (K)||Method||Reference||Comment|
|46.0||421.||PHPMS||French, Ikuta, et al., 1982||gas phase; M|
+ = ( )
By formula: I- + C5H8O2 = (I- C5H8O2)
|rH°||63.2 ± 4.2||kJ/mol||TDAs||Caldwell, Masucci, et al., 1989||gas phase; B,M|
Go To: Top, Ion clustering data, Notes
French, Ikuta, et al., 1982
French, M.A.; Ikuta, S.; Kebarle, P., Hydrogen bonding of O-H and C-H hydrogen donors to Cl-. Results from mass spectrometric measurement of the ion-molecule equilibria RH + Cl- = RHCl-, Can. J. Chem., 1982, 60, 1907. [all data]
Caldwell, Masucci, et al., 1989
Caldwell, G.W.; Masucci, J.A.; Ikonomou, M.G., Negative Ion Chemical Ionization Mass Spectrometry - Binding of Molecules to Bromide and Iodide Anions, Org. Mass Spectrom., 1989, 24, 1, 8, https://doi.org/10.1002/oms.1210240103 . [all data]
Go To: Top, Ion clustering data, References
- Symbols used in this document:
T Temperature rG° Free energy of reaction at standard conditions rH° Enthalpy of reaction at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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