Chemical Properties of Ferrocene, benzoyl- (CAS 1272-44-2)

InChI

InChI=1S/C12H9O.C5H5.Fe/c13-12(11-8-4-5-9-11)10-6-2-1-3-7-10;1-2-4-5-3-1;/h1-9H;1-5H;

InChI Key

JJHHJZCYDPLHIL-UHFFFAOYSA-N

Formula

C17H14FeO

SMILES

O=C(c1ccccc1)[C]12[CH]3[CH]4[CH]5[CH]1[Fe]45321678[CH]2[CH]1[CH]6[CH]7[CH]28

Molecular Weight¹

290.14

CAS

1272-44-2

Other Names

• Benzoyl ferrocene
• Benzoyldicyclopentadienyliron
• Ferrecenophenone
• Ferrocenyl phenyl ketone
• Iron(II), (benzoylcyclopentadienyl)cyclopentadienyl-
• Ketone, ferrocenyl phenyl
• Methanone, ferrocenylphenyl-
• Monobenzoylferrocene
• NSC 54800
• benzoylferrocene

• C_p,solid : Solid phase heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• P_c : Critical Pressure (kPa).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	[29.90; 29.90]	kJ/mol
ΔfusH°	29.90	kJ/mol	Vapour pressures and enthalpies of vaporization of a series of the ferrocene derivatives
ΔfusH°	29.90	kJ/mol	The heat capacities and thermodynamic functions of some derivatives of ferrocene
ΔsubH°	[116.00; 119.90]	kJ/mol
ΔsubH°	119.90 ± 0.70	kJ/mol	NIST
ΔsubH°	116.30 ± 6.00	kJ/mol	NIST
ΔsubH°	116.00 ± 6.00	kJ/mol	NIST
ΔvapH°	98.20 ± 0.30	kJ/mol	NIST
Pc	1590.00	kPa	Critical point measurement of ferrocene and some of its derivatives
Tfus	384.20	K	NIST

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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

Similar Compounds

Find more compounds similar to Ferrocene, benzoyl-.

Sources

• Critical point measurement of ferrocene and some of its derivatives
• Vapour pressures and enthalpies of vaporization of a series of the ferrocene derivatives
• The heat capacities and thermodynamic functions of some derivatives of ferrocene
• NIST Webbook

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