Zirconium acetylacetonate
- Formula: C20H28O8Zr
- Molecular weight: 487.656
- IUPAC Standard InChIKey: FPFOSIXCIBGKOH-MTOQALJVSA-J
- CAS Registry Number: 17501-44-9
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Zirconium, tetrakis(2,4-pentanedionato-O,O')-; Zirconium, tetrakis(2,4-pentanedionato)-; Tetrakis(acetylacetonato)zirconium; Tetrakis(2,4-pentanedionato)zirconium; Zirconium tetraacetylacetonate; Zirconium tetrakis(acetylacetonate); Zirconium(IV) acetylacetonate; Zirconium, tetrakis(acetylacetonato)-; Tetrakis(acetylacetonyl)zirconium; 2,4-Pentanedione, zirconium complex; Zirconium, tetrakis(2,4-pentanedionato-O,O')-, (SA-8-11''11''1'1'''1'1''')-; Zirconium, tetrakis(pentan-2,4-dionato)-; 2,4-Pentanedione, Zr deriv.; AC 150; Nasemu Zirconium; NSC 148120; NSC 4660; Orgatix ZC 150; Tetraacetylacetonate zirconium; Zirconium, tetrakis(2,4-pentanedionato-κO2,κO4)-, (SA-8-11''11''1'1'''1'1''')-; tetrakis(pentane-2,4-dionato-O,O')zirconium
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Phase change data
Go To: Top, Gas phase ion energetics 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 470.8 | K | N/A | Grinberg, Lazarev, et al., 1986 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 30.07 ± 0.69 | kcal/mol | C | Ribeiro Da Silva, Ferrão, et al., 1992 | AC |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
30.1 | 413. to 443. | TGA | Fahlman and Barron, 2000 | AC |
33.2 ± 0.5 | 418. | SMZG | Morozova, Sysoev, et al., 1996 | Based on data from 403. to 433. K.; AC |
31.5 ± 1.6 | 463. | N/A | Murray and Hill, 1987 | AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
11.974 | 470.8 | Grinberg, Lazarev, et al., 1986 | DH |
5.4008 | 472. | Jasim, 1991 | DH |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
25.41 | 470.8 | Grinberg, Lazarev, et al., 1986 | DH |
Gas phase ion energetics data
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 as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
7.6 | PE | Casarin, Ciliberto, et al., 1982 | LBLHLM |
7.95 | PE | Casarin, Ciliberto, et al., 1982 | Vertical value; LBLHLM |
7.95 | PE | Fragala, Condorelli, et al., 1978 | Vertical value; LLK |
Mass spectrum (electron ionization)
Go To: Top, Phase change data, Gas phase ion energetics data, 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
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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 | Japan AIST/NIMC Database- Spectrum MS-NW-5941 |
NIST MS number | 233222 |
References
Go To: Top, Phase change data, Gas phase ion energetics 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.
Grinberg, Lazarev, et al., 1986
Grinberg, Ya.Kh.; Lazarev, V.B.; Zavernyaev, A.Yu.; Shreider, V.A.; Chepik, S.D.,
Enthalpies of fusion of aluminium(III), chromium(III), zirconium(IV), and zinc(II) acetylacetonates,
Zhur. Fiz. Khim., 1986, 60, 1044. [all data]
Ribeiro Da Silva, Ferrão, et al., 1992
Ribeiro Da Silva, Manuel A.V.; Ferrão, Maria Luísa C.C.H.; Marques, Raquel M.C.; Lima, José M.T.,
Standard enthalpies of formation of tetrakis(pentane-2,4-dionato) zirconium(IV) and tetrakis- (1,1,1-trifluoropentane-2,4-dionato)- zirconium(IV): the mean (Zr-O) bond dissociation enthalpies,
The Journal of Chemical Thermodynamics, 1992, 24, 6, 595-599, https://doi.org/10.1016/S0021-9614(05)80029-1
. [all data]
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]
Morozova, Sysoev, et al., 1996
Morozova, N.B.; Sysoev, S.V.; Igumenov, I.K.; Golubenko, A.N.,
Study of temperature dependence of saturated vapour pressure of zirconium(IV) β-diketonates,
Journal of Thermal Analysis, 1996, 46, 5, 1367-1373, https://doi.org/10.1007/BF01979249
. [all data]
Murray and Hill, 1987
Murray, J.P.; Hill, J.O.,
DSC determination of the sublimation enthalpy of bis(2,4-pentanedionato)oxovanadium(IV) and tetrakis(2,4-pentanedionato)zirconium(IV),
Thermochimica Acta, 1987, 109, 2, 391-396, https://doi.org/10.1016/0040-6031(87)80035-7
. [all data]
Jasim, 1991
Jasim, F.,
Simultaneous thermal analysis of zirconium(IV) acetylacetonate in a helium atmoshphere,
J. Therm. Anal., 1991, 37(1), 149-153. [all data]
Casarin, Ciliberto, et al., 1982
Casarin, M.; Ciliberto, E.; Fragala, I.; Granozzi, G.,
Photoelectron spectroscopy of f-element coordination compounds. 2. He-II spectra of β-diketonate complexes of uranium(IV), thorium(IV), zirconium(IV) and dioxouranium(VI),
Inorg. Chim. Acta, 1982, 64, 247. [all data]
Fragala, Condorelli, et al., 1978
Fragala, I.; Condorelli, G.; Tondello, A.; Cassol, A.,
Photoelectron spectroscopy of f-element coordination compounds. 1. β-diketonate complexes of uranium(IV), thorium(IV), zirconium(IV), dioxouranium(VI),
Inorg. Chem., 1978, 17, 3175. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tfus Fusion (melting) point ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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