Chemical Properties of Chromium, tricarbonyl[(1,2,3,4,5,6-«eta»)-1,3,5-cycloheptatriene]- (CAS 12125-72-3)

InChI

InChI=1S/C7H8.3CO.Cr/c1-2-4-6-7-5-3-1;3*1-2;/h1-6H,7H2;;;;

InChI Key

RTJMWZLRYSYOEK-UHFFFAOYSA-N

Formula

C10H8CrO3

SMILES

C1=CC=CCC=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]

Molecular Weight¹

228.16

CAS

12125-72-3

Other Names

• Chromium, tricarbonyl(1,3,5-cycloheptatriene)-
• «pi»-Cycloheptatrienetricarbonylchromium
• (Cycloheptatriene)chromium tricarbonyl
• Chromium tricarbonyl complex with cycloheptatriene
• Cycloheptatrienetricarbonylchromium
• Tricarbonyl(cycloheptatriene)chromium
• Chromium, tricarbonyl[«eta»6]-1,3,5-cycloheptatriene
• Tricarbonyl(«eta»-1,3,5-cycloheptatriene)chromium
• Chromium, tricarbonyl[(1,2,3,4,5,6-«eta»6)-1,3,5-cycloheptatriene]-
• Tropilidenechromium tricarbonyl
• tricarbonyl[(1,2,3,4,5,6-«eta»)-1,3,5-cycloheptatriene]chromium

• 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_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-221.80 ± 9.60	kJ/mol	NIST
ΔfH°solid	-309.70 ± 8.70	kJ/mol	NIST
ΔsubH°	[87.90; 94.10]	kJ/mol
ΔsubH°	87.90 ± 4.00	kJ/mol	NIST
ΔsubH°	94.10	kJ/mol	NIST
ΔvapH°	67.49	kJ/mol	Relay (1.0) Calculated Property
IE	[6.90; 7.30]	eV
IE	6.90 ± 0.20	eV	NIST
IE	7.10	eV	NIST
IE	7.18	eV	NIST
IE	7.30 ± 0.05	eV	NIST
log10WS	-1.92		Relay (1.0) Calculated Property
Tboil	581.58	K	Relay (1.0) Calculated Property
Tfus	372.97	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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.

Similar Compounds

Find more compounds similar to Chromium, tricarbonyl[(1,2,3,4,5,6-«eta»)-1,3,5-cycloheptatriene]-.

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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