Chemical Properties of Ferric tris(acetylacetonate) (CAS 14024-18-1)

InChI

InChI=1S/3C5H8O2.Fe/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3/b3*4-3-;

InChI Key

AQBLLJNPHDIAPN-LNTINUHCSA-K

Formula

C15H21FeO6

SMILES

CC(=O)C=C(C)[O-].CC(=O)C=C(C)[O-].CC(=O)C=C(C)[O-].[Fe]

Molecular Weight¹

353.17

CAS

14024-18-1

Other Names

• (Acetylacetonato)iron(iii)
• (oc-6-11)-tris(2,4-pentanedionato-O,O')-iron
• Acetope Fe(II)
• Ferric acetylacetonate
• Ferric triacetylacetonate
• Ferric tris(acetoacetonate)
• Ferric(III) acetylacetonate
• Iron acetylacetonate
• Iron triacetylacetonate
• Iron tris(2,4-pentanedionate)
• Iron tris(acetoacetonate)
• Iron tris(acetylacetonate)
• Iron(3+) acetylacetonate
• Iron(III) 2,4-pentanedionate
• Iron(iii) acetylacetonate
• Iron, tris(2,4-pentanedionato)-
• NSC 43622
• Nacem Iron
• Tris(2,4-pentanedionato)iron
• Tris(acetylacetonato)iron
• Tris(acetylacetone)iron
• iron, tris(2,4-pentanedionato-O,O')-, (oc-6-11)-
• tris(pentane-2,4-dionato)iron(II)

• C_p,solid : Solid phase heat capacity (J/mol×K).
• EA : Electron affinity (eV).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• P_c : Critical Pressure (kPa).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
EA	1.86 ± 0.02	eV	NIST
ΔfH°gas	-1157.69	kJ/mol	Relay (1.0) Calculated Property
ΔsubH°	[65.30; 138.40]	kJ/mol
ΔsubH°	128.60 ± 0.90	kJ/mol	NIST
ΔsubH°	126.40 ± 3.10	kJ/mol	NIST
ΔsubH°	138.40 ± 5.20	kJ/mol	NIST
ΔsubH°	65.30 ± 3.30	kJ/mol	NIST
ΔvapH°	90.31	kJ/mol	Relay (1.0) Calculated Property
IE	[7.60; 8.64]	eV
IE	7.60 ± 0.20	eV	NIST
IE	8.64 ± 0.11	eV	NIST
IE	8.45 ± 0.05	eV	NIST
IE	8.60	eV	NIST
IE	8.20	eV	NIST
IE	7.89	eV	NIST
IE	8.10 ± 0.07	eV	NIST
Pc	1991.84	kPa	Relay (1.0-beta) Calculated Property
S°solid,1 bar	526.50	J/mol×K	NIST
Tboil	663.46	K	Relay (1.0) Calculated Property
Tc	866.85	K	Relay (1.0) Calculated Property
Tfus	461.00 ± 1.00	K	NIST

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	429.90	J/mol×K	298.15	NIST
ΔfusH	[22.60; 30.10]	kJ/mol	[454.00; 462.00]
ΔfusH	25.90	kJ/mol	454.00	NIST
ΔfusH	30.10	kJ/mol	459.00	NIST
ΔfusH	25.30	kJ/mol	460.00	NIST
ΔfusH	22.60	kJ/mol	462.00	NIST
ΔsubH	[100.00; 124.60]	kJ/mol	[346.50; 428.00]
ΔsubH	114.20 ± 1.50	kJ/mol	346.50	NIST
ΔsubH	124.60 ± 0.90	kJ/mol	378.50	NIST
ΔsubH	114.20	kJ/mol	385.00	NIST
ΔsubH	100.00	kJ/mol	395.00	NIST
ΔsubH	112.00	kJ/mol	428.00	NIST

Similar Compounds

Find more compounds similar to Ferric tris(acetylacetonate).

Mixtures

• Ferric tris(acetylacetonate) + Carbon dioxide

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Effect of the chemical structures of iron complexes on the solubilities in supercritical carbon dioxide
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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