- InChI
- InChI=1S/3C15H12O2.Fe/c3*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;/h3*1-11,16H;/q;;;+3/p-3/b3*14-11-;
- InChI Key
- JWPHPBLJVLHKOZ-VPWWGWCISA-K
- Formula
- C45H33FeO6
- SMILES
-
O=C(C=C([O-])c1ccccc1)c1ccccc1
.O=C(C=C([O-])c1ccccc1)c1ccccc 1.O=C(C=C([O-])c1ccccc1)c1cccc c1.[Fe] - Molecular Weight1
- 725.59
- CAS
- 14405-49-3
- Other Names
-
- Iron(III) 1,3-diphenyl-1,3-dipropanedionate
- Iron, tris(1,3-diphenyl-1,3-propanedionato)-
- Iron, tris(dibenzoylmethanato)-
- Iron, tris-1,3-diphenyl-1,3-propanedionato-O,O')-
- Tris(dibenzoylmethanato)iron
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (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).
- 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 | 0.9835 | Relay (1.0) Calculated Property | |
| ΔfG° | 574.08 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -197.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔsubH° | [208.00; 210.00] | kJ/mol |
|
| ΔsubH° | 208.00 ± 2.00 | kJ/mol | NIST |
| ΔsubH° | 210.00 ± 6.00 | kJ/mol | NIST |
| ΔvapH° | 218.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.70 | eV | NIST |
| log10WS | -10.05 | Relay (1.0) Calculated Property | |
| Pc | 219.17 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 1037.16 | K | Relay (1.0) Calculated Property |
| Tc | 1470.74 | K | Relay (1.0) Calculated Property |
| Tfus | 536.32 | K | Relay (1.0) Calculated Property |
| Vc | 1.603 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔsubH | [196.00; 197.00] | kJ/mol | [670.50; 817.50] |
|
| ΔsubH | 197.00 ± 4.00 | kJ/mol | 670.50 | NIST |
| ΔsubH | 196.00 ± 8.00 | kJ/mol | 700.00 | NIST |
| ΔsubH | 197.00 ± 2.00 | kJ/mol | 817.50 | NIST |
Similar Compounds
Find more compounds similar to Iron, tris(1,3-diphenyl-1,3-propanedionato-O,O')-, (OC-6-11)-.
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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