Copper, bis(2,4-pentanedionato-O,O')-, (SP-4-1)-
- Formula: C10H14CuO4
- Molecular weight: 261.762
- IUPAC Standard InChIKey: QYJPSWYYEKYVEJ-FDGPNNRMSA-L
- CAS Registry Number: 13395-16-9
- 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. - Species with the same structure:
- Other names: Bis(acetylacetonato)copper; Copper, bis(2,4-pentanedionato)-; Bis(2,4-pentanedionato)copper; Copper acetylacetonate; Copper bis(acetylacetonate); Copper diacetylacetonate; Copper(II) acetylacetonate; Cupric acetylacetonate; CD 9; Copper(II) 2,4-pentanedionate; Copper bis(2,4-pentanedionate); Copper, bis(2,4-pentanedionato-O,O')-; CD 9Thimet G; copper(II) 4-oxopent-2-en-2-olate
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Condensed phase thermochemistry 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 by: Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
S°solid,1 bar | 89.10 | cal/mol*K | N/A | Teghil, Ferro, et al., 1981 |
Constant pressure heat capacity of solid
Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
51.00 | 298. | Teghil, Ferro, et al., 1981 | T = 4.2 to 450 K. |
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 by: William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔsubH° | 30. ± 6. | kcal/mol | AVG | N/A | Average of 8 values; Individual data points |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
29.06 ± 0.33 | 403. | ME | Siddiqi, Siddiqui, et al., 2009 | Based on data from 363. to 443. K. |
28.7 | 413. to 443. | TGA | Fahlman and Barron, 2000 | |
29.28 ± 0.29 | 387. | TE | Ribeiro da Silva, 1995 | Based on data from 377. to 398. K. |
29.3 ± 0.2 | 387. | ME | Ribeiro da Silva, 1995 | Based on data from 377. to 398. K. |
29.23 ± 0.26 | 393. | ME | Ribeiro da Silva, 1995 | |
25.6 ± 1.4 | 492. | N/A | Murray and Hill, 1987 | |
34.1 ± 1.6 | 471. | DSC | Ribeiro Da Silva and Ferrão, 1987 | |
26. ± 1. | 400. | N/A | Götze, Bloss, et al., 1970 |
Gas phase ion energetics 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:
LL - Sharon G. Lias and Joel F. Liebman
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
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
7.2 | PE | Kitagawa, Morishima, et al., 1983 | LBLHLM |
8.31 ± 0.05 | EI | Reichert and Westmore, 1969 | RDSH |
7.75 ± 0.05 | EI | Holtzclaw, Lintvedt, et al., 1969 | RDSH |
8.35 | PE | Shcheka and Vovna, 1992 | Vertical value; LL |
7.66 | PE | Kitagawa, Morishima, et al., 1983 | Vertical value; LBLHLM |
8.35 | PE | Cauletti, Furlani, et al., 1980 | Vertical value; LLK |
8.20 | PE | Brittain and Disch, 1975 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C5H7O2Cu+ | 13.1 ± 0.2 | ? | EI | Reichert and Westmore, 1969 | RDSH |
C9H11O4Cu+ | 10.9 ± 0.1 | ? | EI | Reichert and Westmore, 1969 | RDSH |
Mass spectrum (electron ionization)
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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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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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-9148 |
NIST MS number | 230396 |
References
Go To: Top, Condensed phase thermochemistry data, 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.
Teghil, Ferro, et al., 1981
Teghil, R.; Ferro, D.; Bencivenni, L.; Pelino, M.,
A thermodynamic study of the sublimation processes of aluminum and copper acetylacetonates,
Thermochim. Acta, 1981, 44, 213-222. [all data]
Siddiqi, Siddiqui, et al., 2009
Siddiqi, M. Aslam; Siddiqui, Rehan A.; Atakan, Burak,
Thermal Stability, Sublimation Pressures, and Diffusion Coefficients of Anthracene, Pyrene, and Some Metal β-Diketonates,
J. Chem. Eng. Data, 2009, 54, 10, 2795-2802, https://doi.org/10.1021/je9001653
. [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]
Ribeiro da Silva, 1995
Ribeiro da Silva, M.,
Vapour pressures and standard molar enthalpies of sublimation of seven crystalline copper(II) β-diketonates. The mean molar (Cu-O) bond-dissociation enthalpies,
The Journal of Chemical Thermodynamics, 1995, 27, 2, 175-190, https://doi.org/10.1006/jcht.1995.0014
. [all data]
Murray and Hill, 1987
Murray, J.P.; Hill, J.O.,
DSC determination of the sublimation enthalpy of tris(2,4-pentanedionato)cobalt(III) and bis(2,4-pentanedionato) nickel(II) and -copper(II),
Thermochimica Acta, 1987, 109, 2, 383-390, https://doi.org/10.1016/0040-6031(87)80034-5
. [all data]
Ribeiro Da Silva and Ferrão, 1987
Ribeiro Da Silva, Manuel A.V.; Ferrão, Maria Luísa C.C.H.,
Standard enthalpies of formation of tris(β-diketonate)chromium(III) complexes: the mean (Cr«58872»O) bond-dissociation enthalpies,
The Journal of Chemical Thermodynamics, 1987, 19, 6, 645-652, https://doi.org/10.1016/0021-9614(87)90070-X
. [all data]
Götze, Bloss, et al., 1970
Götze, H.-J.; Bloss, K.; Molketin, H.,
Dampfdruckbestimmung von Acetylacetonaten,
Zeitschrift für Physikalische Chemie, 1970, 73, 46, 314-320, https://doi.org/10.1524/zpch.1970.73.46.314
. [all data]
Kitagawa, Morishima, et al., 1983
Kitagawa, S.; Morishima, I.; Yoshikawa, K.,
UV photoelectron spectra of some transition metal(II)aAcetylacetonates,
Polyhedron, 1983, 2, 43. [all data]
Reichert and Westmore, 1969
Reichert, C.; Westmore, J.B.,
Mass spectral studies of metal chelates. IV.Mass spectra, appearance potentials, and coordinate bond energies of bis(acetylacetonate)metal(II) complexes of the first transition series,
Inorg. Chem., 1969, 8, 1012. [all data]
Holtzclaw, Lintvedt, et al., 1969
Holtzclaw, H.F., Jr.; Lintvedt, R.L.; Baumgarten, H.E.; Parker, R.G.; Bursey, M.M.; Rogerson, P.F.,
Mass spectra of metal chelates. I. Substituent effects on ionization potentials and fragmentation patterns of some 1-methyl-3-alkyl-1,3-dione-copper(II) chelates,
J. Am. Chem. Soc., 1969, 91, 3774. [all data]
Shcheka and Vovna, 1992
Shcheka, O.L.; Vovna, V.I.,
Electronic structure of some copper(II) and iron(III) -diketonates,
J. Electron Spectrosc. Relat. Phenom., 1992, 60, 211. [all data]
Cauletti, Furlani, et al., 1980
Cauletti, C.; Furlani, C.; Storto, G.,
Coordinative bond d-shell ionisations in the UV photoelectron spectra of bis({beta}-diketonato) cobalt (II) copper (II) complexes, their thio analogues,
J. Electron Spectrosc. Relat. Phenom., 1980, 18, 329. [all data]
Brittain and Disch, 1975
Brittain, H.G.; Disch, R.L.,
The He(I) photoelectron spectra of some bivalent transition metal β-diketonate complexes*,
J. Electron Spectrosc. Relat. Phenom., 1975, 7, 475. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
AE Appearance energy Cp,solid Constant pressure heat capacity of solid S°solid,1 bar Entropy of solid at standard conditions (1 bar) 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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