- InChI
- InChI=1S/5CO.Fe/c5*1-2;
- InChI Key
- FYOFOKCECDGJBF-UHFFFAOYSA-N
- Formula
- C5FeO5
- SMILES
-
[C-]#[O+].[C-]#[O+].[C-]#[O+].
[C-]#[O+].[C-]#[O+].[Fe] - Molecular Weight1
- 195.90
- CAS
- 13463-40-6
- Other Names
-
- Fe(CO)5
- Iron carbonyl
- Iron carbonyl (Fe(CO)5)
- Iron carbonyl (Fe(CO)5), (TB-5-11)-
- Pentacarbonyl iron
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (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).
- Pvap : Vapor pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 833.00 | kJ/mol | NIST |
| BasG | 798.50 | kJ/mol | NIST |
| ΔcH°liquid | -1614.60 ± 6.30 | kJ/mol | NIST |
| ΔfH°gas | -723.90 ± 6.70 | kJ/mol | NIST |
| ΔfH°liquid | -764.10 ± 6.70 | kJ/mol | NIST |
| ΔvapH° | [38.10; 40.20] | kJ/mol |
|
| ΔvapH° | 40.20 ± 0.80 | kJ/mol | NIST |
| ΔvapH° | 38.10 ± 0.40 | kJ/mol | NIST |
| IE | [7.90; 8.60] | eV |
|
| IE | 7.90 ± 0.03 | eV | NIST |
| IE | 8.40 ± 0.20 | eV | NIST |
| IE | 7.98 ± 0.01 | eV | NIST |
| IE | 8.00 ± 0.08 | eV | NIST |
| IE | 7.96 ± 0.02 | eV | NIST |
| IE | 7.95 ± 0.03 | eV | NIST |
| IE | 8.60 | eV | NIST |
| IE | 8.60 | eV | NIST |
| IE | 8.60 | eV | NIST |
| Tboil | 376.00 | K | NIST |
Cheméo can also estimate Normal melting (fusion) point, 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 |
|---|---|---|---|---|
| ΔvapH | [37.60; 40.10] | kJ/mol | [279.00; 322.00] |
|
| ΔvapH | 40.10 ± 0.50 | kJ/mol | 279.00 | NIST |
| ΔvapH | 39.00 | kJ/mol | 309.50 | NIST |
| ΔvapH | 37.60 | kJ/mol | 322.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [217.12; 244.61] | J/mol×K | [700.00; 1500.00] |
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 | 1.59139e+02 | |||
| Coefficient B | 1.28158e+02 | |||
| Coefficient C | -6.55334e+01 | |||
| Coefficient D | 1.23024e+01 | |||
| Coefficient E | -1.87876e+00 | |||
| Reference | Chase, 1998 | |||
| Comment | F=-786.7370, G=585.9010, H=-727.8490; Data last reviewed in March, 1978 | |||
| Temperature range, min. | 700.00 | |||
| Temperature range, max. | 1500.00 | |||
| Cp,gas | 217.12 | J/mol×K | 700.00 | Calculated Property |
| Cp,gas | 222.48 | J/mol×K | 788.89 | Calculated Property |
| Cp,gas | 227.02 | J/mol×K | 877.78 | Calculated Property |
| Cp,gas | 230.89 | J/mol×K | 966.67 | Calculated Property |
| Cp,gas | 234.18 | J/mol×K | 1055.56 | Calculated Property |
| Cp,gas | 236.98 | J/mol×K | 1144.44 | Calculated Property |
| Cp,gas | 239.36 | J/mol×K | 1233.33 | Calculated Property |
| Cp,gas | 241.39 | J/mol×K | 1322.22 | Calculated Property |
| Cp,gas | 243.12 | J/mol×K | 1411.11 | Calculated Property |
| Cp,gas | 244.61 | J/mol×K | 1500.00 | Calculated Property |
| Cp,gas | [244.47; 259.14] | J/mol×K | [1500.00; 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 | 2.52965e+02 | |||
| Coefficient B | 2.56738e+00 | |||
| Coefficient C | -3.80698e-01 | |||
| Coefficient D | 2.40660e-02 | |||
| Coefficient E | -2.60253e+01 | |||
| Reference | Chase, 1998 | |||
| Comment | F=-860.0320, G=671.4010, H=-727.8490; Data last reviewed in March, 1978 | |||
| Temperature range, min. | 1500.00 | |||
| Temperature range, max. | 6000.00 | |||
| Cp,gas | 244.47 | J/mol×K | 1500.00 | Calculated Property |
| Cp,gas | 250.26 | J/mol×K | 2000.00 | Calculated Property |
| Cp,gas | 253.22 | J/mol×K | 2500.00 | Calculated Property |
| Cp,gas | 255.00 | J/mol×K | 3000.00 | Calculated Property |
| Cp,gas | 256.19 | J/mol×K | 3500.00 | Calculated Property |
| Cp,gas | 257.06 | J/mol×K | 4000.00 | Calculated Property |
| Cp,gas | 257.72 | J/mol×K | 4500.00 | Calculated Property |
| Cp,gas | 258.25 | J/mol×K | 5000.00 | Calculated Property |
| Cp,gas | 258.71 | J/mol×K | 5500.00 | Calculated Property |
| Cp,gas | 259.14 | J/mol×K | 6000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | [233.79; 233.79] | 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,liquid in J/mol×K, T in K | |||
| Coefficient A | 2.33785e+02 | |||
| Coefficient B | 1.40000e-05 | |||
| Coefficient C | -2.20000e-05 | |||
| Coefficient D | 1.20000e-05 | |||
| Coefficient E | 6.56754e-08 | |||
| Reference | Chase, 1998 | |||
| Comment | F=-835.7958, G=619.9977, H=-766.0904; Data last reviewed in March, 1978 | |||
| Temperature range, min. | 298.00 | |||
| Temperature range, max. | 700.00 | |||
| Cp,liquid | 233.79 | J/mol×K | 298.00 | Calculated Property |
| Cp,liquid | 233.79 | J/mol×K | 342.67 | Calculated Property |
| Cp,liquid | 233.79 | J/mol×K | 387.33 | Calculated Property |
| Cp,liquid | 233.79 | J/mol×K | 432.00 | Calculated Property |
| Cp,liquid | 233.79 | J/mol×K | 476.67 | Calculated Property |
| Cp,liquid | 233.79 | J/mol×K | 521.33 | Calculated Property |
| Cp,liquid | 233.79 | J/mol×K | 566.00 | Calculated Property |
| Cp,liquid | 233.79 | J/mol×K | 610.67 | Calculated Property |
| Cp,liquid | 233.79 | J/mol×K | 655.33 | Calculated Property |
| Cp,liquid | 233.79 | J/mol×K | 700.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.68] | kPa | [278.04; 397.85] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.84775e+01 | |||
| Coefficient B | -5.71116e+03 | |||
| Coefficient C | 3.59370e+01 | |||
| Temperature range, min. | 278.04 | |||
| Temperature range, max. | 397.85 | |||
| Pvap | 1.33 | kPa | 278.04 | Calculated Property |
| Pvap | 2.79 | kPa | 291.35 | Calculated Property |
| Pvap | 5.53 | kPa | 304.66 | Calculated Property |
| Pvap | 10.38 | kPa | 317.98 | Calculated Property |
| Pvap | 18.64 | kPa | 331.29 | Calculated Property |
| Pvap | 32.12 | kPa | 344.60 | Calculated Property |
| Pvap | 53.34 | kPa | 357.91 | Calculated Property |
| Pvap | 85.69 | kPa | 371.23 | Calculated Property |
| Pvap | 133.60 | kPa | 384.54 | Calculated Property |
| Pvap | 202.68 | kPa | 397.85 | Calculated Property |
| Pvap | [0.23; 5.10] | kPa | [254.00; 304.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.35798e+01 | |||
| Coefficient B | -2.89715e+03 | |||
| Coefficient C | -6.15630e+01 | |||
| Reference | Gilbert and Sulzmann, 1974, 2 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 254.00 | |||
| Temperature range, max. | 304.00 | |||
| Pvap | 0.23 | kPa | 254.00 | Calculated Property |
| Pvap | 0.35 | kPa | 259.56 | Calculated Property |
| Pvap | 0.52 | kPa | 265.11 | Calculated Property |
| Pvap | 0.76 | kPa | 270.67 | Calculated Property |
| Pvap | 1.09 | kPa | 276.22 | Calculated Property |
| Pvap | 1.53 | kPa | 281.78 | Calculated Property |
| Pvap | 2.11 | kPa | 287.33 | Calculated Property |
| Pvap | 2.87 | kPa | 292.89 | Calculated Property |
| Pvap | 3.86 | kPa | 298.44 | Calculated Property |
| Pvap | 5.10 | kPa | 304.00 | Calculated Property |
| Pvap | [0.68; 99.71] | kPa | [266.70; 378.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.65543e+01 | |||
| Coefficient B | -4.51513e+03 | |||
| Coefficient C | -2.28000e-01 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 266.70 | |||
| Temperature range, max. | 378.00 | |||
| Pvap | 0.68 | kPa | 266.70 | Calculated Property |
| Pvap | 1.44 | kPa | 279.07 | Calculated Property |
| Pvap | 2.86 | kPa | 291.43 | Calculated Property |
| Pvap | 5.37 | kPa | 303.80 | Calculated Property |
| Pvap | 9.61 | kPa | 316.17 | Calculated Property |
| Pvap | 16.47 | kPa | 328.53 | Calculated Property |
| Pvap | 27.13 | kPa | 340.90 | Calculated Property |
| Pvap | 43.16 | kPa | 353.27 | Calculated Property |
| Pvap | 66.54 | kPa | 365.63 | Calculated Property |
| Pvap | 99.71 | kPa | 378.00 | Calculated Property |
| Pvap | [0.23; 5.10] | kPa | [254.00; 304.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.35798e+01 | |||
| Coefficient B | -2.89715e+03 | |||
| Coefficient C | -6.15630e+01 | |||
| Reference | Gilbert and Sulzmann, 1974 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 254.00 | |||
| Temperature range, max. | 304.00 | |||
| Pvap | 0.23 | kPa | 254.00 | Calculated Property |
| Pvap | 0.35 | kPa | 259.56 | Calculated Property |
| Pvap | 0.52 | kPa | 265.11 | Calculated Property |
| Pvap | 0.76 | kPa | 270.67 | Calculated Property |
| Pvap | 1.09 | kPa | 276.22 | Calculated Property |
| Pvap | 1.53 | kPa | 281.78 | Calculated Property |
| Pvap | 2.11 | kPa | 287.33 | Calculated Property |
| Pvap | 2.87 | kPa | 292.89 | Calculated Property |
| Pvap | 3.86 | kPa | 298.44 | Calculated Property |
| Pvap | 5.10 | kPa | 304.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Iron pentacarbonyl.
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
- The Yaws Handbook of Vapor Pressure
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