Chemical Properties of Ferrocene, acetyl- (CAS 1271-55-2)

InChI

InChI=1S/C7H7O.C5H5.Fe/c1-6(8)7-4-2-3-5-7;1-2-4-5-3-1;/h2-5H,1H3;1-5H;

InChI Key

PHMAOJNZIFULOG-UHFFFAOYSA-N

Formula

C12H12FeO

SMILES

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

Molecular Weight¹

228.07

CAS

1271-55-2

Other Names

• 1-Acetylferrocene
• Acetoferrocene
• Acetylferrocene
• Ethanone, 1-ferrocenyl-
• Ketone, ferrocenyl methyl
• Monacetylferrocene
• Monoacetylferrocene

• C_p,solid : Solid phase heat capacity (J/mol×K).
• Δ_subH° : Enthalpy of sublimation 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
ΔsubH°	[115.60; 115.60]	kJ/mol
ΔsubH°	115.60 ± 2.50	kJ/mol	NIST
ΔsubH°	115.60 ± 2.50	kJ/mol	NIST
Pc	3280.00	kPa	Critical point measurement of ferrocene and some of its derivatives
Tfus	358.70	K	NIST

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization 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, acetyl-.

Sources

• Critical point measurement of ferrocene and some of its derivatives
• Phase Behavior of the Ternary System Acetylferrocene, The Ionic Liquid 1-Butyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide, and Carbon Dioxide To Be Applied in Friedel Crafts Acylation Reactions
• NIST Webbook

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