- InChI
- InChI=1S/Fe
- InChI Key
- XEEYBQQBJWHFJM-UHFFFAOYSA-N
- Formula
- Fe
- SMILES
- [Fe]
- Molecular Weight1
- 55.84
- CAS
- 7439-89-6
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- Pvap : Vapor pressure (kPa).
- ρs : Solid Density (kg/m3).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 754.00 | kJ/mol | NIST |
| BasG | 731.10 | kJ/mol | NIST |
| EA | [0.14; 0.31] | eV |
|
| EA | 0.31 ± 0.20 | eV | NIST |
| EA | 0.15 ± 0.00 | eV | NIST |
| EA | 0.16 ± 0.04 | eV | NIST |
| EA | 0.14 ± 0.05 | eV | NIST |
| EA | 0.25 ± 0.20 | eV | NIST |
| EA | 0.16 ± 0.04 | eV | NIST |
| IE | [7.70; 8.00] | eV |
|
| IE | 7.90 ± 0.00 | eV | NIST |
| IE | 7.92 | eV | NIST |
| IE | 7.90 | eV | NIST |
| IE | 7.87 | eV | NIST |
| IE | 7.90 ± 0.00 | eV | NIST |
| IE | 7.90 | eV | NIST |
| IE | Outlier 7.70 ± 0.20 | eV | NIST |
| IE | 8.00 ± 0.50 | eV | NIST |
| IE | 7.87 | eV | NIST |
Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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 |
|---|---|---|---|---|
| ΔvapH | 408.60 | kJ/mol | 298.00 | Thermodynamic activity measurements in nickel-base industrial alloys and steels by Knudsen cell Mass spectrometry |
| ρs | 7849.00 | kg/m3 | 293.00 | Intercomparison of Thermophysical Property Measurements on Iron and Steels |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [26.64; 39.85] | J/mol×K | [3133.34; 6000.00] |
NIST
|
| Equation | Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.12925e+01 | |||
| Coefficient B | 6.98971e+00 | |||
| Coefficient C | -1.11031e+00 | |||
| Coefficient D | 1.22354e-01 | |||
| Coefficient E | 5.68928e+00 | |||
| Reference | Chase, 1998 | |||
| Comment | F=423.5380, G=206.3591, H=415.4716; Data last reviewed in March, 1978 | |||
| Temperature range, min. | 3133.34 | |||
| Temperature range, max. | 6000.00 | |||
| Cp,gas | 26.64 | J/mol×K | 3133.34 | Calculated Property |
| Cp,gas | 27.70 | J/mol×K | 3451.86 | Calculated Property |
| Cp,gas | 28.82 | J/mol×K | 3770.38 | Calculated Property |
| Cp,gas | 30.01 | J/mol×K | 4088.90 | Calculated Property |
| Cp,gas | 31.30 | J/mol×K | 4407.41 | Calculated Property |
| Cp,gas | 32.70 | J/mol×K | 4725.93 | Calculated Property |
| Cp,gas | 34.23 | J/mol×K | 5044.45 | Calculated Property |
| Cp,gas | 35.91 | J/mol×K | 5362.97 | Calculated Property |
| Cp,gas | 37.78 | J/mol×K | 5681.48 | Calculated Property |
| Cp,gas | 39.85 | J/mol×K | 6000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | [46.02; 46.02] | J/mol×K | [1809.00; 3133.34] |
NIST
|
| Equation | Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,liquid in J/mol×K, T in K | |||
| Coefficient A | 4.60240e+01 | |||
| Coefficient B | -1.88467e-08 | |||
| Coefficient C | 6.09475e-09 | |||
| Coefficient D | -6.64030e-10 | |||
| Coefficient E | -8.24612e-09 | |||
| Reference | Chase, 1998 | |||
| Comment | F=-10.80543, G=72.54094, H=12.39502; Data last reviewed in March, 1978 | |||
| Temperature range, min. | 1809.00 | |||
| Temperature range, max. | 3133.34 | |||
| Cp,liquid | 46.02 | J/mol×K | 1809.00 | Calculated Property |
| Cp,liquid | 46.02 | J/mol×K | 1956.15 | Calculated Property |
| Cp,liquid | 46.02 | J/mol×K | 2103.30 | Calculated Property |
| Cp,liquid | 46.02 | J/mol×K | 2250.45 | Calculated Property |
| Cp,liquid | 46.02 | J/mol×K | 2397.60 | Calculated Property |
| Cp,liquid | 46.02 | J/mol×K | 2544.75 | Calculated Property |
| Cp,liquid | 46.02 | J/mol×K | 2691.90 | Calculated Property |
| Cp,liquid | 46.02 | J/mol×K | 2839.05 | Calculated Property |
| Cp,liquid | 46.02 | J/mol×K | 2986.20 | Calculated Property |
| Cp,liquid | 46.02 | J/mol×K | 3133.34 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,solid | [25.09; 34.60] | J/mol×K | [298.00; 700.00] |
NIST
|
| Equation | Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,solid in J/mol×K, T in K | |||
| Coefficient A | 1.84287e+01 | |||
| Coefficient B | 2.46430e+01 | |||
| Coefficient C | -8.91372e+00 | |||
| Coefficient D | 9.66471e+00 | |||
| Coefficient E | -1.26430e-02 | |||
| Reference | Chase, 1998 | |||
| Comment | F=-6.573022, G=42.51488, H=0.000000; «alpha»-«delta» phase; Data last reviewed in March, 1978 | |||
| Temperature range, min. | 298.00 | |||
| Temperature range, max. | 700.00 | |||
| Cp,solid | 25.09 | J/mol×K | 298.00 | Calculated Property |
| Cp,solid | 26.11 | J/mol×K | 342.67 | Calculated Property |
| Cp,solid | 27.11 | J/mol×K | 387.33 | Calculated Property |
| Cp,solid | 28.12 | J/mol×K | 432.00 | Calculated Property |
| Cp,solid | 29.14 | J/mol×K | 476.67 | Calculated Property |
| Cp,solid | 30.18 | J/mol×K | 521.33 | Calculated Property |
| Cp,solid | 31.23 | J/mol×K | 566.00 | Calculated Property |
| Cp,solid | 32.32 | J/mol×K | 610.67 | Calculated Property |
| Cp,solid | 33.44 | J/mol×K | 655.33 | Calculated Property |
| Cp,solid | 34.60 | J/mol×K | 700.00 | Calculated Property |
| Cp,solid | [34.48; 83.60] | J/mol×K | [700.00; 1042.00] |
NIST
|
| Equation | Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,solid in J/mol×K, T in K | |||
| Coefficient A | -5.77677e+04 | |||
| Coefficient B | 1.37920e+05 | |||
| Coefficient C | -1.22773e+05 | |||
| Coefficient D | 3.86824e+04 | |||
| Coefficient E | 3.99308e+03 | |||
| Reference | Chase, 1998 | |||
| Comment | F=24078.67, G=-87364.01, H=0.000000; «alpha»-«delta» phase; Data last reviewed in March, 1978 | |||
| Temperature range, min. | 700.00 | |||
| Temperature range, max. | 1042.00 | |||
| Cp,solid | 34.48 | J/mol×K | 700.00 | Calculated Property |
| Cp,solid | 29.24 | J/mol×K | 738.00 | Calculated Property |
| Cp,solid | 33.90 | J/mol×K | 776.00 | Calculated Property |
| Cp,solid | 39.86 | J/mol×K | 814.00 | Calculated Property |
| Cp,solid | 43.14 | J/mol×K | 852.00 | Calculated Property |
| Cp,solid | 43.27 | J/mol×K | 890.00 | Calculated Property |
| Cp,solid | 42.42 | J/mol×K | 928.00 | Calculated Property |
| Cp,solid | 44.79 | J/mol×K | 966.00 | Calculated Property |
| Cp,solid | 56.17 | J/mol×K | 1004.00 | Calculated Property |
| Cp,solid | 83.60 | J/mol×K | 1042.00 | Calculated Property |
| Cp,solid | [83.68; 46.40] | J/mol×K | [1042.00; 1100.00] |
NIST
|
| Equation | Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,solid in J/mol×K, T in K | |||
| Coefficient A | -3.25886e+02 | |||
| Coefficient B | 2.89288e+01 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 4.11963e+02 | |||
| Reference | Chase, 1998 | |||
| Comment | F=745.8231, G=241.8766, H=0.000000; «alpha»-«delta» phase; Data last reviewed in March, 1978 | |||
| Temperature range, min. | 1042.00 | |||
| Temperature range, max. | 1100.00 | |||
| Cp,solid | 83.68 | J/mol×K | 1042.00 | Calculated Property |
| Cp,solid | 79.22 | J/mol×K | 1048.44 | Calculated Property |
| Cp,solid | 74.84 | J/mol×K | 1054.89 | Calculated Property |
| Cp,solid | 70.54 | J/mol×K | 1061.33 | Calculated Property |
| Cp,solid | 66.33 | J/mol×K | 1067.78 | Calculated Property |
| Cp,solid | 62.19 | J/mol×K | 1074.22 | Calculated Property |
| Cp,solid | 58.13 | J/mol×K | 1080.67 | Calculated Property |
| Cp,solid | 54.15 | J/mol×K | 1087.11 | Calculated Property |
| Cp,solid | 50.24 | J/mol×K | 1093.56 | Calculated Property |
| Cp,solid | 46.40 | J/mol×K | 1100.00 | Calculated Property |
| Cp,solid | [46.39; 42.66] | J/mol×K | [1100.00; 1809.00] |
NIST
|
| Equation | Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,solid in J/mol×K, T in K | |||
| Coefficient A | -7.76739e+02 | |||
| Coefficient B | 9.19400e+02 | |||
| Coefficient C | -3.83718e+02 | |||
| Coefficient D | 5.70815e+01 | |||
| Coefficient E | 2.42137e+02 | |||
| Reference | Chase, 1998 | |||
| Comment | F=697.6234, G=-558.3674, H=0.000000; «alpha»-«delta» phase; Data last reviewed in March, 1978 | |||
| Temperature range, min. | 1100.00 | |||
| Temperature range, max. | 1809.00 | |||
| Cp,solid | 46.39 | J/mol×K | 1100.00 | Calculated Property |
| Cp,solid | 41.60 | J/mol×K | 1178.78 | Calculated Property |
| Cp,solid | 39.26 | J/mol×K | 1257.56 | Calculated Property |
| Cp,solid | 38.46 | J/mol×K | 1336.33 | Calculated Property |
| Cp,solid | 38.58 | J/mol×K | 1415.11 | Calculated Property |
| Cp,solid | 39.20 | J/mol×K | 1493.89 | Calculated Property |
| Cp,solid | 40.06 | J/mol×K | 1572.67 | Calculated Property |
| Cp,solid | 40.97 | J/mol×K | 1651.44 | Calculated Property |
| Cp,solid | 41.85 | J/mol×K | 1730.22 | Calculated Property |
| Cp,solid | 42.66 | J/mol×K | 1809.00 | Calculated Property |
| Cp,solid | [26.47; 39.11] | J/mol×K | [298.00; 1809.00] |
NIST
|
| Equation | Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,solid in J/mol×K, T in K | |||
| Coefficient A | 2.39745e+01 | |||
| Coefficient B | 8.36775e+00 | |||
| Coefficient C | 2.77000e-04 | |||
| Coefficient D | -8.60000e-05 | |||
| Coefficient E | -5.00000e-06 | |||
| Reference | Chase, 1998 | |||
| Comment | F=0.268027, G=62.06336, H=7.788015; «gamma» phase; Data last reviewed in March, 1978 | |||
| Temperature range, min. | 298.00 | |||
| Temperature range, max. | 1809.00 | |||
| Cp,solid | 26.47 | J/mol×K | 298.00 | Calculated Property |
| Cp,solid | 27.87 | J/mol×K | 465.89 | Calculated Property |
| Cp,solid | 29.28 | J/mol×K | 633.78 | Calculated Property |
| Cp,solid | 30.68 | J/mol×K | 801.67 | Calculated Property |
| Cp,solid | 32.09 | J/mol×K | 969.56 | Calculated Property |
| Cp,solid | 33.49 | J/mol×K | 1137.44 | Calculated Property |
| Cp,solid | 34.90 | J/mol×K | 1305.33 | Calculated Property |
| Cp,solid | 36.30 | J/mol×K | 1473.22 | Calculated Property |
| Cp,solid | 37.71 | J/mol×K | 1641.11 | Calculated Property |
| Cp,solid | 39.11 | J/mol×K | 1809.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [7.28e-04; 101.32] | kPa | [1708.15; 3133.35] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.72791e+01 | |||
| Coefficient B | -3.73330e+04 | |||
| Coefficient C | -1.84630e+02 | |||
| Temperature range, min. | 1708.15 | |||
| Temperature range, max. | 3133.35 | |||
| Pvap | 7.28e-04 | kPa | 1708.15 | Calculated Property |
| Pvap | 7.31e-03 | kPa | 1866.51 | Calculated Property |
| Pvap | 0.05 | kPa | 2024.86 | Calculated Property |
| Pvap | 0.25 | kPa | 2183.22 | Calculated Property |
| Pvap | 0.97 | kPa | 2341.57 | Calculated Property |
| Pvap | 3.17 | kPa | 2499.93 | Calculated Property |
| Pvap | 8.91 | kPa | 2658.28 | Calculated Property |
| Pvap | 22.08 | kPa | 2816.64 | Calculated Property |
| Pvap | 49.39 | kPa | 2974.99 | Calculated Property |
| Pvap | 101.32 | kPa | 3133.35 | Calculated Property |
Mixtures
- iron + dysprosium
- antimony + iron
- antimony + iron + Bismuth
- Neodymium + iron
- iron + Palladium
- iron + gold
- iron + gold + Palladium
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.
- Intercomparison of Thermophysical Property Measurements on Iron and Steels
- Heat capacity and thermodynamics of a synthetic two-line ferrihydrite, FeOOH 0.027H2O
- Thermodynamic measurement of Dy + Fe binary system by double Knudsen cell mass spectrometry
- Thermodynamic activity measurements in nickel-base industrial alloys and steels by Knudsen cell Mass spectrometry
- Determination of the standard molar enthalpies of formation and heat capacities of Bi25FeO39 (s) and Bi2Fe4O9 (s) by calorimetry
- Correlation between excess volume and thermodynamic functions of liquid Pd-X (X = Fe, Cu and Ni) binary systems
- Thermodynamic investigation of the moderately dilute liquid Bi Fe Sb alloys
- Thermodynamic Measurement of Nd-Fe system by Double Knudsen Cell Mass Spectrometry
- Thermodynamic mixing effects of liquid ternary Au-Fe-Pd alloys by computer-aided Knudsen cell mass spectrometry
- On the partial enthalpy of mixing of Nb in liquid Al
- Calorimetric method for determining the thermochemical energy storage capacities of redox metal oxides
- KDB
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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