- InChI
- InChI=1S/2C5H5.Fe/c2*1-2-4-5-3-1;/h2*1-5H;
- InChI Key
- DFRHTHSZMBROSH-UHFFFAOYSA-N
- Formula
- C10H10Fe
- SMILES
-
[CH]12[CH]3[CH]4[CH]5[CH]1[Fe]
23451678[CH]2[CH]1[CH]6[CH]7[C H]28 - Molecular Weight1
- 186.03
- CAS
- 102-54-5
- Other Names
-
- Bis(«eta»-cyclopentadienyl) iron
- Bis(cyclopentadienyl)iron
- Di(«pi»-cyclopentadienyl)iron
- Di-2,4-cyclopentadien-1-yliron
- Dicyclopentadienyl iron
- Ferrotsen
- Iron dicyclopentadienyl
- Iron, bis(«eta»5-2,4-cyclopentadien-1-yl)-
- Iron, bis(«eta»5-cyclopentadienyl)
- Iron bis(cyclopentadienide)
- NSC 2033
- Catane
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- S°solid,1 bar : Solid phase molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 863.60 | kJ/mol | NIST |
| BasG | 841.30 | kJ/mol | NIST |
| ΔcH°solid | [-5905.30; -5877.70] | kJ/mol |
|
| ΔcH°solid | -5891.50 ± 4.20 | kJ/mol | NIST |
| ΔcH°solid | -5905.30 ± 1.70 | kJ/mol | NIST |
| ΔcH°solid | -5877.70 ± 5.00 | kJ/mol | NIST |
| ΔfH°gas | [214.80; 242.40] | kJ/mol |
|
| ΔfH°gas | 242.40 ± 2.50 | kJ/mol | NIST |
| ΔfH°gas | 214.80 ± 5.30 | kJ/mol | NIST |
| ΔfH°gas | 228.60 ± 4.60 | kJ/mol | NIST |
| ΔfH°gas | 231.70 ± 4.10 | kJ/mol | NIST |
| ΔfH°solid | [141.10; 168.70] | kJ/mol |
|
| ΔfH°solid | 168.70 ± 2.30 | kJ/mol | NIST |
| ΔfH°solid | 141.10 ± 5.20 | kJ/mol | NIST |
| ΔfH°solid | 154.90 ± 4.50 | kJ/mol | NIST |
| ΔfH°solid | 158.00 ± 4.00 | kJ/mol | NIST |
| ΔsubH° | [67.90; 87.60] | kJ/mol |
|
| ΔsubH° | 73.30 ± 1.90 | kJ/mol | NIST |
| ΔsubH° | 72.70 ± 0.20 | kJ/mol | NIST |
| ΔsubH° | 72.70 ± 0.20 | kJ/mol | NIST |
| ΔsubH° | 73.30 ± 0.10 | kJ/mol | NIST |
| ΔsubH° | 74.90 ± 1.70 | kJ/mol | NIST |
| ΔsubH° | 73.30 ± 0.10 | kJ/mol | NIST |
| ΔsubH° | 74.10 ± 1.40 | kJ/mol | NIST |
| ΔsubH° | 74.30 ± 0.40 | kJ/mol | NIST |
| ΔsubH° | 73.20 ± 0.70 | kJ/mol | NIST |
| ΔsubH° | 72.40 ± 1.00 | kJ/mol | NIST |
| ΔsubH° | 70.30 ± 1.00 | kJ/mol | NIST |
| ΔsubH° | 71.90 ± 0.40 | kJ/mol | NIST |
| ΔsubH° | 75.60 ± 0.40 | kJ/mol | NIST |
| ΔsubH° | 73.60 ± 0.40 | kJ/mol | NIST |
| ΔsubH° | 74.00 ± 2.00 | kJ/mol | NIST |
| ΔsubH° | 72.60 ± 1.40 | kJ/mol | NIST |
| ΔsubH° | 71.90 ± 2.00 | kJ/mol | NIST |
| ΔsubH° | 67.90 | kJ/mol | NIST |
| ΔsubH° | 74.10 ± 1.70 | kJ/mol | NIST |
| ΔsubH° | Outlier 87.60 ± 2.00 | kJ/mol | NIST |
| ΔsubH° | 73.00 ± 2.00 | kJ/mol | NIST |
| ΔsubH° | 77.00 ± 1.00 | kJ/mol | NIST |
| ΔsubH° | 76.80 ± 0.90 | kJ/mol | NIST |
| ΔsubH° | Outlier 84.70 | kJ/mol | NIST |
| ΔsubH° | 73.70 | kJ/mol | NIST |
| ΔvapH° | 64.70 ± 0.40 | kJ/mol | NIST |
| IE | [6.60; 7.20] | eV |
|
| IE | 6.71 ± 0.08 | eV | NIST |
| IE | 6.82 | eV | NIST |
| IE | 6.61 ± 0.08 | eV | NIST |
| IE | 6.90 ± 0.20 | eV | NIST |
| IE | 6.60 | eV | NIST |
| IE | 6.75 ± 0.01 | eV | NIST |
| IE | 6.90 ± 0.10 | eV | NIST |
| IE | 6.72 | eV | NIST |
| IE | 6.75 ± 0.25 | eV | NIST |
| IE | 6.78 ± 0.05 | eV | NIST |
| IE | 6.90 ± 0.10 | eV | NIST |
| IE | Outlier 7.20 ± 0.10 | eV | NIST |
| IE | 6.97 | eV | NIST |
| IE | 6.99 | eV | NIST |
| IE | 6.90 | eV | NIST |
| IE | 6.86 | eV | NIST |
| IE | 6.90 | eV | NIST |
| IE | 6.88 | eV | NIST |
| IE | 6.88 | eV | NIST |
| IE | 7.10 | eV | NIST |
| IE | 7.00 | eV | NIST |
| S°solid,1 bar | [211.85; 216.20] | J/mol×K |
|
| S°solid,1 bar | 211.85 | J/mol×K | NIST |
| S°solid,1 bar | 216.20 | J/mol×K | NIST |
| Tboil | 519.00 ± 1.00 | K | NIST |
| Tfus | [446.00; 451.30] | K |
|
| Tfus | 447.00 | K | NIST |
| Tfus | 446.00 ± 0.50 | K | NIST |
| Tfus | 451.30 ± 0.50 | K | NIST |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,solid | [131.00; 195.90] | J/mol×K | [200.00; 298.16] |
|
| Cp,solid | 131.00 | J/mol×K | 200.00 | NIST |
| Cp,solid | 192.50 | J/mol×K | 298.00 | NIST |
| Cp,solid | 189.56 | J/mol×K | 298.15 | NIST |
| Cp,solid | 195.90 | J/mol×K | 298.16 | NIST |
| ΔfusH | [17.49; 17.80] | kJ/mol | [447.60; 448.50] |
|
| ΔfusH | 17.49 | kJ/mol | 447.60 | NIST |
| ΔfusH | 17.78 | kJ/mol | 448.20 | NIST |
| ΔfusH | 17.80 | kJ/mol | 448.50 | NIST |
| ΔsubH | [64.60; 84.00] | kJ/mol | [293.50; 420.00] |
|
| ΔsubH | 72.10 ± 0.40 | kJ/mol | 293.50 | NIST |
| ΔsubH | 72.50 ± 1.00 | kJ/mol | 296.00 | NIST |
| ΔsubH | 73.20 ± 1.90 | kJ/mol | 301.00 | NIST |
| ΔsubH | 72.60 ± 0.10 | kJ/mol | 313.00 | NIST |
| ΔsubH | 73.10 ± 1.40 | kJ/mol | 333.00 | NIST |
| ΔsubH | 83.30 | kJ/mol | 345.00 | NIST |
| ΔsubH | 70.00 ± 2.00 | kJ/mol | 363.00 | NIST |
| ΔsubH | 64.60 | kJ/mol | 397.00 | NIST |
| ΔsubH | 70.50 | kJ/mol | 406.00 | NIST |
| ΔsubH | 84.00 ± 2.00 | kJ/mol | 420.00 | NIST |
| ΔvapH | [44.70; 49.80] | kJ/mol | [456.00; 561.50] |
|
| ΔvapH | 47.30 | kJ/mol | 456.00 | NIST |
| ΔvapH | 49.80 | kJ/mol | 487.00 | NIST |
| ΔvapH | 47.30 | kJ/mol | 489.50 | NIST |
| ΔvapH | 44.70 | kJ/mol | 561.50 | NIST |
Similar Compounds
Find more compounds similar to Ferrocene.
Sources
- 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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