Chemical Properties of Benzenechromiumtricarbonyl (CAS 12082-08-5)

InChI

InChI=1S/C6H6.3CO.Cr/c1-2-4-6-5-3-1;3*1-2;/h1-6H;;;;

InChI Key

WVSBQYMJNMJHIM-UHFFFAOYSA-N

Formula

C9H6CrO3

SMILES

[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].c1ccccc1

Molecular Weight¹

214.14

CAS

12082-08-5

Other Names

• Chromium, («eta»6-benzene)tricarbonyl-
• Chromium, (benzene)tricarbonyl-
• «eta»6-Benzenetricarbonylchromium
• «pi»-Benzenechromium tricarbonyl
• «pi»-Benzenetricarbonylchromium
• (Benzene)tricarbonylchromium
• Benchrotrene
• Benzene-chromium carbonyl complex
• Benzenechromotricarbonyl
• Benzenetricarbonyl chromium(0)
• Tricarbonylbenzene chromium
• Benzentrikarbonylchromium

• ω : Acentric Factor.
• C_p,solid : Solid phase heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	-0.3594		Relay (1.0) Calculated Property
ΔfG°	5.27	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-350.30 ± 9.40	kJ/mol	NIST
ΔfH°solid	-441.50 ± 8.40	kJ/mol	NIST
ΔsubH°	[91.20; 91.20]	kJ/mol
ΔsubH°	91.20 ± 4.20	kJ/mol	NIST
ΔsubH°	91.20	kJ/mol	NIST
ΔvapH°	66.71	kJ/mol	Relay (1.0) Calculated Property
IE	[6.70; 7.42]	eV
IE	7.28	eV	NIST
IE	6.70 ± 0.10	eV	NIST
IE	7.00 ± 0.20	eV	NIST
IE	7.30 ± 0.10	eV	NIST
IE	7.41 ± 0.06	eV	NIST
IE	7.42 ± 0.03	eV	NIST
log10WS	-1.58		Relay (1.0) Calculated Property
Pc	2574.45	kPa	Relay (1.0-beta) Calculated Property
S°solid,1 bar	267.40	J/mol×K	NIST
Tboil	566.05	K	Relay (1.0) Calculated Property
Tc	501.08	K	Relay (1.0) Calculated Property
Tfus	350.18	K	Relay (1.0) Calculated Property
Vc	0.207	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to Benzenechromiumtricarbonyl.

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.
• NIST Webbook

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