1,1,1,5,5,5-Hexafluoroacetylacetone iron(III) salt

Formula: C₁₅H₃F₁₈FeO₆
Molecular weight: 676.997
IUPAC Standard InChI: InChI=1S/3C5H2F6O2.Fe/c3*6-4(7,8)2(12)1-3(13)5(9,10)11;/h3*1,12H;/q;;;+3/p-3/b3*2-1-;
IUPAC Standard InChIKey: NBPRJLXRDBDIFS-JVUUZWNBSA-K
CAS Registry Number: 17786-67-3
Chemical structure:
This structure is also available as a 2d Mol file
Other names: Iron, tris(1,1,1,5,5,5-hexafluoro-2,4-pentanedionato-O,O')-, (OC-6-11)-; Iron, tris(1,1,1,5,5,5-hexafluoro-2,4-pentanedionato)-; Iron, tris(1,1,1,5,5,5-hexafluoroacetylacetonato)-; Tris(hexafluoroacetylacetonato)iron; Iron, tris(1,1,1,5,5,5-hexafluoro-2,4-pentanedionato-O,O'-); Iron tris(1,1,1,5,5,5-hexafluoroacetylacetate)
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Other data available:
- Gas phase ion energetics data
- Mass spectrum (electron ionization)
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Phase change data

Data compiled by: William E. Acree, Jr., James S. Chickos

Quantity	Value	Units	Method	Reference	Comment
Δ_subH°	18.9 ± 1.6	kcal/mol	N/A	Grinberg, Lazarev, et al., 1987

Δ_subH (kcal/mol)	Temperature (K)	Method	Reference	Comment
12.4	333. to 363.	TGA	Fahlman and Barron, 2000
14.3	333. to 363.	TGA	Fahlman and Barron, 2000
18.5 ± 1.5	334.	BG	Grinberg, Lazarev, et al., 1987	Based on data from 324. to 344. K. See also Lazarev, Greenberg, et al., 1988.
26.20 ± 0.91	335.	N/A	Fontaine, Pommier, et al., 1972	Based on data from 323. to 347. K.

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Fahlman and Barron, 2000
Fahlman, Bradley D.; Barron, Andrew R., Substituent effects on the volatility of metal ?-diketonates, Adv. Mater. Opt. Electron., 2000, 10, 3-5, 223-232, https://doi.org/10.1002/1099-0712(200005/10)10:3/5<223::AID-AMO411>3.0.CO;2-M . [all data]

Lazarev, Greenberg, et al., 1988
Lazarev, V.B.; Greenberg, J.H.; Ozerova, Z.P.; Sharpataya, G.A., DSC and vapour pressure investigation of some β-diketonates, Journal of Thermal Analysis, 1988, 33, 3, 797-799, https://doi.org/10.1007/BF02138589 . [all data]

Fontaine, Pommier, et al., 1972
Fontaine, R.; Pommier, C.; Guiochon, G., Bull. Soc. Chim. Fr., 1972, 8, 3011. [all data]

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Symbols used in this document:

Δ_subH Enthalpy of sublimation

Δ_subH° Enthalpy of sublimation at standard conditions
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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Δ_subH	Enthalpy of sublimation
Δ_subH°	Enthalpy of sublimation at standard conditions