Ferrocene, formyl-
- Formula: C11H10FeO
- Molecular weight: 214.042
- IUPAC Standard InChI: InChI=1S/C6H5O.C5H5.Fe/c7-5-6-3-1-2-4-6;1-2-4-5-3-1;/h1-5H;1-5H;
- IUPAC Standard InChIKey: UQTCQJVPLIVCAX-UHFFFAOYSA-N
- CAS Registry Number: 12093-10-6
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Ferrocenecarboxaldehyde; Ferrocenealdehyde; Ferrocenecarbaldehyde; Formyldicyclopentadienyliron; Formylferrocene; Iron, π-cyclopentadienyl(formyl-π-cyclopentadienyl)-; Ferrocenaldehyde; Ferrocene carboxyaldehyde; 2-Ferrocenecarboxaldehyde; Cyclopentadienecarboxaldehyde, cyclopentadienyliron deriv.; Ferrocenylcarboxaldehyde; NSC 407052; Ferrocenecarboxaldehdye
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Phase change data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔsubH° | 21.4 ± 1.2 | kcal/mol | ME | Lousada, Pinto, et al., 2008 | |
| ΔsubH° | 21.0 ± 0.84 | kcal/mol | ME | Lousada, Pinto, et al., 2008 |
Enthalpy of sublimation
| ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 21.5 ± 1.2 | 305. | ME | Lousada, Pinto, et al., 2008 | Based on data from 302. to 312. K. |
| 20.9 ± 0.84 | 310. | ME | Lousada, Pinto, et al., 2008 | Based on data from 302. to 312. K. |
Enthalpy of fusion
| ΔfusH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 0.60 | 397.2 | DSC | Lousada, Pinto, et al., 2008 | |
| 0.660 | 397.6 | AC | Kaneko and Sorai, 2007 | Based on data from 13. to 405. K. |
| 0.490 | 396.7 | N/A | Daniel, Leadbetter, et al., 1978 |
References
Go To: Top, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Lousada, Pinto, et al., 2008
Lousada, Cláudio M.; Pinto, Susana S.; Canongia Lopes, José N.; Minas da Piedade, M. Fátima; Diogo, Hermínio P.; Minas da Piedade, Manuel E.,
Experimental and Molecular Dynamics Simulation Study of the Sublimation and Vaporization Energetics of Iron Metalocenes. Crystal Structures of Fe(η 5 -C 5 H 4 CH 3 ) 2 and Fe[(η 5 -(C 5 H 5 )(η 5 -C 5 H 4 CHO)],
J. Phys. Chem. A, 2008, 112, 13, 2977-2987, https://doi.org/10.1021/jp7107818
. [all data]
Kaneko and Sorai, 2007
Kaneko, Y.; Sorai, M.,
Heat capacity and phase transitions of the plastic crystal formylferrocene,
Phase Transitions, 2007, 80, 6-7, 517-528, https://doi.org/10.1080/01411590701339401
. [all data]
Daniel, Leadbetter, et al., 1978
Daniel, M.F.; Leadbetter, Alan J.; Meads, R.E.; Parker, W.G.,
Structure of the ferrocene carboxaldehyde mesophase by X-ray diffraction and M«65533»ssbauer spectroscopy,
J. Chem. Soc., Faraday Trans. 2, 1978, 74, 456, https://doi.org/10.1039/f29787400456
. [all data]
Notes
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- Symbols used in this document:
ΔfusH Enthalpy of fusion ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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