![Iron, («eta»4-1,3-butadiene)carbonyl[(2,3,4,5-«eta»)-diethyl 2,4-hexadienedioate]-, stereoisomer](/cid/17-737-5/Iron-eta-4-1-3-butadiene-carbonyl-2-3-4-5-eta-diethyl-2-4-hexadienedioate-stereoisomer.png "Iron, («eta»4-1,3-butadiene)carbonyl[(2,3,4,5-«eta»)-diethyl 2,4-hexadienedioate]-, stereoisomer")
- InChI
- InChI=1S/C10H14O4.C4H6.CO.Fe/c1-3-13-9(11)7-5-6-8-10(12)14-4-2;1-3-4-2;1-2;/h5-8H,3-4H2,1-2H3;3-4H,1-2H2;;
- InChI Key
- GKVIOEVHLYJGJS-UHFFFAOYSA-N
- Formula
- C15H20FeO5
- SMILES
-
C=CC=C.CCOC(=O)C=CC=CC(=O)OCC.
[C-]#[O+].[Fe] - Molecular Weight1
- 336.16
- CAS
- 62278-90-4
- ω : Acentric Factor.
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.2691 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -793.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔsubH° | 108.80 ± 4.20 | kJ/mol | NIST |
| ΔvapH° | 84.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.81 | Relay (1.0) Calculated Property | |
| Pc | 1329.78 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 632.44 | K | Relay (1.0) Calculated Property |
| Tc | 699.82 | K | Relay (1.0) Calculated Property |
| Tfus | 383.40 | K | Relay (1.0) Calculated Property |
| Vc | 0.612 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Similar Compounds
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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