Chemical Properties of Tungsten, tricarbonyl[(1,2,3,4,5,6-«eta»6)-1,3,5-cycloheptatriene]- (CAS 12128-81-3)

InChI

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

InChI Key

YFXVYJADJBVKFC-UHFFFAOYSA-N

Formula

C10H8O3W

SMILES

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

Molecular Weight¹

360.01

CAS

12128-81-3

Other Names

• Cycloheptatrienetungsten tricarbonyl
• Tungsten, tricarbonyl[(1,2,3,4,5,6-«eta»)-1,3,5-cycloheptatriene]-
• Tungsten, tricarbonyl(1,3,5-cycloheptatriene)-
• Tricarbonyl(«eta»-1,3,5-cycloheptatriene)tungsten
• Tricarbonyl(cycloheptatriene)tungsten

• Δ_fH°_gas : 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	-185.84	kJ/mol	Relay (1.0) Calculated Property
ΔsubH°	92.00	kJ/mol	NIST
ΔvapH°	71.24	kJ/mol	Relay (1.0) Calculated Property
IE	[7.32; 7.55]	eV
IE	7.32	eV	NIST
IE	7.55 ± 0.05	eV	NIST
log10WS	-2.25		Relay (1.0) Calculated Property
Tboil	587.03	K	Relay (1.0) Calculated Property
Tfus	378.25	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 Tungsten, tricarbonyl[(1,2,3,4,5,6-«eta»6)-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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