Chemical Properties of Molybdenum,tricarbonyl[(1,2,3,4,5,6-«eta»)-1,3,5-cycloheptatriene]- (CAS 12125-77-8)

InChI

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

InChI Key

WQAVHVQYKSYTII-UHFFFAOYSA-N

Formula

C10H8MoO3

SMILES

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

Molecular Weight¹

272.13

CAS

12125-77-8

Other Names

• Cycloheptatriene molybdenum tricarbonyl
• Molybdenum, tricarbonyl(1,3,5-cycloheptatriene)-
• Tricarbonyl(«eta»-1,3,5-cycloheptatriene)molybdenum
• Tricarbonyl(cycloheptatriene)molybdenum
• Molybdenum,tricarbonyl[(1,2,3,4,5,6-«eta»

• 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	-217.57	kJ/mol	Relay (1.0) Calculated Property
ΔsubH°	88.00 ± 4.00	kJ/mol	NIST
ΔvapH°	66.97	kJ/mol	Relay (1.0) Calculated Property
IE	[7.44; 7.46]	eV
IE	7.44	eV	NIST
IE	7.46 ± 0.05	eV	NIST
log10WS	-2.04		Relay (1.0) Calculated Property
Tboil	567.43	K	Relay (1.0) Calculated Property
Tfus	380.15	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 Molybdenum,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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