Chemical Properties of Chromic acetylacetonate (CAS 21679-31-2)

InChI

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

InChI Key

JWORPXLMBPOPPU-LNTINUHCSA-K

Formula

C15H21CrO6

SMILES

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

Molecular Weight¹

349.32

CAS

21679-31-2

Other Names

• (CH3COCHCOCH3)3Cr
• Chromium triacetylacetonate
• Chromium tris(2,4-pentanedionate)
• Chromium tris(acetylacetonate)
• Chromium(3+) acetylacetonate
• Chromium(3+), tris(2,4-pentanedionato)-
• Chromium(III) acetylacetonate
• Chromium(III) tris(2,4-pentanedionate)
• Chromium, tris(2,4-pentanedionato)-
• Chromium, tris(2,4-pentanedionato-O,O')-
• Chromium, tris(2,4-pentanedionato-O,O')-, (OC-6-11)-
• Chromium, tris(2,4-pentanedionato-«kappa»O,«kappa»O')-, (OC-6-11)-
• Chromium, tris(acetylacetonato)-
• NSC 4654
• Tris(acetylacetonato)chromium
• Tris(acetylacetonato)chromium(III)
• chromium acetylacetonate
• chromium(III) 4-oxopent-2-ene-2-olate
• tris(2,4-pentanedionato)chromium

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• P_c : Critical Pressure (kPa).
• P_sub : Sublimation pressure (kPa).
• Δ_fusS : Entropy of fusion at a given temperature (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	0.87 ± 0.04	eV	NIST
ΔfH°gas	-1159.71	kJ/mol	Relay (1.0) Calculated Property
ΔsubH°	[110.90; 132.10]	kJ/mol
ΔsubH°	126.80 ± 4.20	kJ/mol	NIST
ΔsubH°	132.10 ± 1.90	kJ/mol	NIST
ΔsubH°	123.00 ± 3.00	kJ/mol	NIST
ΔsubH°	110.90 ± 0.80	kJ/mol	NIST
ΔvapH°	91.70	kJ/mol	Relay (1.0) Calculated Property
IE	[7.00; 8.10]	eV
IE	7.00 ± 0.20	eV	NIST
IE	7.87 ± 0.12	eV	NIST
IE	8.10 ± 0.05	eV	NIST
IE	7.50	eV	NIST
IE	7.46 ± 0.07	eV	NIST
Pc	2270.80	kPa	Relay (1.0-beta) Calculated Property
Tboil	716.11	K	Relay (1.0) Calculated Property
Tc	906.60	K	Relay (1.0) Calculated Property
Tfus	[481.90; 487.00]	K
Tfus	481.90 ± 0.50	K	NIST
Tfus	487.00 ± 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	[7.71; 453.39]	J/mol×K	[10.37; 321.88]
Cp,solid	7.71	J/mol×K	10.37	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	11.29	J/mol×K	12.37	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	15.81	J/mol×K	14.67	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	20.74	J/mol×K	17.00	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	26.83	J/mol×K	19.75	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	32.26	J/mol×K	22.21	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	34.53	J/mol×K	23.22	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	37.47	J/mol×K	24.48	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	37.58	J/mol×K	24.55	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	40.95	J/mol×K	25.99	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	44.23	J/mol×K	27.39	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	45.34	J/mol×K	27.85	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	50.22	J/mol×K	29.83	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	52.01	J/mol×K	30.57	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	54.95	J/mol×K	31.91	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	60.06	J/mol×K	34.08	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	65.82	J/mol×K	36.42	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	68.09	J/mol×K	37.30	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	77.45	J/mol×K	41.15	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	81.84	J/mol×K	42.87	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	83.19	J/mol×K	43.47	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	89.53	J/mol×K	45.92	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	92.22	J/mol×K	46.92	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	98.41	J/mol×K	49.30	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	103.88	J/mol×K	51.32	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	108.90	J/mol×K	53.16	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	117.05	J/mol×K	55.97	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	120.29	J/mol×K	57.04	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	122.64	J/mol×K	58.09	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	128.56	J/mol×K	60.55	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	128.91	J/mol×K	60.56	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	136.27	J/mol×K	63.91	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	136.96	J/mol×K	64.15	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	139.62	J/mol×K	65.54	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	144.65	J/mol×K	67.85	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	150.92	J/mol×K	70.92	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	152.87	J/mol×K	71.78	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	161.57	J/mol×K	75.78	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	161.53	J/mol×K	75.84	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	164.11	J/mol×K	76.87	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	168.72	J/mol×K	79.05	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	170.69	J/mol×K	80.06	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	173.16	J/mol×K	81.28	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	175.06	J/mol×K	82.06	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	177.41	J/mol×K	83.26	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	179.57	J/mol×K	84.38	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	180.83	J/mol×K	84.96	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	184.81	J/mol×K	86.91	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	186.77	J/mol×K	87.94	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	187.58	J/mol×K	88.47	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	192.12	J/mol×K	90.71	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	193.56	J/mol×K	91.61	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	200.01	J/mol×K	94.95	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	201.14	J/mol×K	95.50	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	207.84	J/mol×K	99.24	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	207.72	J/mol×K	99.28	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	214.82	J/mol×K	103.58	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	220.43	J/mol×K	106.80	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	225.53	J/mol×K	110.04	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	232.64	J/mol×K	114.71	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	239.53	J/mol×K	119.52	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	246.37	J/mol×K	124.45	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	253.52	J/mol×K	129.50	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	260.04	J/mol×K	134.54	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	266.03	J/mol×K	139.45	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	272.10	J/mol×K	144.36	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	278.01	J/mol×K	149.43	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	284.09	J/mol×K	154.65	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	289.93	J/mol×K	159.87	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	295.59	J/mol×K	165.11	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	301.31	J/mol×K	170.26	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	305.92	J/mol×K	174.76	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	310.45	J/mol×K	179.21	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	315.44	J/mol×K	184.02	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	320.27	J/mol×K	188.75	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	325.12	J/mol×K	193.51	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	329.94	J/mol×K	198.29	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	335.55	J/mol×K	203.71	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	340.75	J/mol×K	209.36	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	346.27	J/mol×K	214.53	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	351.86	J/mol×K	219.64	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	356.22	J/mol×K	224.51	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	361.44	J/mol×K	229.67	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	366.76	J/mol×K	235.31	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	372.10	J/mol×K	240.88	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	377.18	J/mol×K	246.38	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	382.68	J/mol×K	251.83	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	388.87	J/mol×K	257.71	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	394.88	J/mol×K	263.50	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	400.54	J/mol×K	268.77	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	407.45	J/mol×K	275.50	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	409.89	J/mol×K	277.87	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	413.33	J/mol×K	281.32	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	417.22	J/mol×K	285.19	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	421.14	J/mol×K	288.93	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	424.92	J/mol×K	292.64	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	428.72	J/mol×K	296.43	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	432.75	J/mol×K	300.42	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	436.63	J/mol×K	304.53	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	440.79	J/mol×K	308.77	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	444.86	J/mol×K	313.07	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	448.89	J/mol×K	317.49	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
Cp,solid	453.39	J/mol×K	321.88	Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
ΔfusH	[28.40; 35.90]	kJ/mol	[481.90; 490.00]
ΔfusH	34.00	kJ/mol	481.90	NIST
ΔfusH	35.90	kJ/mol	486.00	NIST
ΔfusH	28.70	kJ/mol	487.00	NIST
ΔfusH	34.00	kJ/mol	489.00	NIST
ΔfusH	28.40	kJ/mol	489.00	NIST
ΔfusH	35.20	kJ/mol	490.00	NIST
ΔsubH	[28.90; 128.20]	kJ/mol	[354.00; 471.50]
ΔsubH	127.60	kJ/mol	354.00	NIST
ΔsubH	128.20	kJ/mol	377.50	NIST
ΔsubH	40.20 ± 1.70	kJ/mol	378.00	NIST
ΔsubH	112.10	kJ/mol	390.00	NIST
ΔsubH	111.60	kJ/mol	396.00	NIST
ΔsubH	91.00	kJ/mol	428.00	NIST
ΔsubH	28.90	kJ/mol	463.00	NIST
ΔsubH	113.00 ± 4.80	kJ/mol	471.50	NIST
ΔvapH	[82.20; 120.80]	kJ/mol	[486.10; 513.00]
ΔvapH	120.80	kJ/mol	486.10	Determination of the enthalpies of sublimation and evaporation from thermogravimetric data: Application to metalorganic complexes of Al and Cr
ΔvapH	82.20 ± 2.00	kJ/mol	513.00	NIST
Psub	[1.68e-07; 7.63e-04]	kPa	[320.15; 388.15]
Psub	1.68e-07	kPa	320.15	Thermodynamics of chromium acetylacetonate sublimation
Psub	5.07e-07	kPa	327.15	Thermodynamics of chromium acetylacetonate sublimation
Psub	7.54e-07	kPa	330.00	Thermodynamics of chromium acetylacetonate sublimation
Psub	1.27e-06	kPa	333.15	Thermodynamics of chromium acetylacetonate sublimation
Psub	3.33e-06	kPa	341.15	Thermodynamics of chromium acetylacetonate sublimation
Psub	8.40e-06	kPa	348.15	Thermodynamics of chromium acetylacetonate sublimation
Psub	2.05e-05	kPa	355.15	Thermodynamics of chromium acetylacetonate sublimation
Psub	4.60e-05	kPa	362.15	Thermodynamics of chromium acetylacetonate sublimation
Psub	1.10e-04	kPa	369.15	Thermodynamics of chromium acetylacetonate sublimation
Psub	2.25e-04	kPa	376.15	Thermodynamics of chromium acetylacetonate sublimation
Psub	3.42e-04	kPa	380.00	Thermodynamics of chromium acetylacetonate sublimation
Psub	4.40e-04	kPa	382.15	Thermodynamics of chromium acetylacetonate sublimation
Psub	7.63e-04	kPa	388.15	Thermodynamics of chromium acetylacetonate sublimation
ΔfusS	69.50	J/mol×K	481.90	NIST

Similar Compounds

Find more compounds similar to Chromic acetylacetonate.

Mixtures

• Carbon dioxide + Chromic acetylacetonate
• Ethanol + Chromic acetylacetonate

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.
• Solubilities of cobalt(III) and chromium(III) acetylacetonates in supercritical carbon dioxide at elevated temperatures
• Measurement and correlation of the diffusion coefficients of chromium (III) acetylacetonate at infinite dilution in supercritical carbon dioxide and in liquid ethanol
• Thermodynamics of chromium acetylacetonate sublimation
• Heat capacity and Raman spectra of Cr(C5H7O2)3 at low temperature
• Determination of the enthalpies of sublimation and evaporation from thermogravimetric data: Application to metalorganic complexes of Al and Cr
• NIST Webbook

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