- InChI
- InChI=1S/4CO.Ni/c4*1-2;
- InChI Key
- AWDHUGLHGCVIEG-UHFFFAOYSA-N
- Formula
- C4NiO4
- SMILES
-
[C-]#[O+].[C-]#[O+].[C-]#[O+].
[C-]#[O+].[Ni] - Molecular Weight1
- 170.73
- CAS
- 13463-39-3
- Other Names
-
- Ni(CO)4
- Nichel tetracarbonile
- Nickel carbonyl
- Nickel carbonyl (Ni(CO)4)
- Nickel carbonyl (Ni(CO)4), (T-4)-
- Nickel carbonyle
- Nickel tetracarbonyle
- Nikkeltetracarbonyl
- Rcra waste number P073
- Tetracarbonyl nickel
- UN 1259
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 742.30 | kJ/mol | NIST |
| BasG | 716.00 | kJ/mol | NIST |
| ΔcH°liquid | -1180.30 ± 4.20 | kJ/mol | NIST |
| ΔfH°gas | [-605.80; -594.80] | kJ/mol |
|
| ΔfH°gas | -594.80 ± 4.30 | kJ/mol | NIST |
| ΔfH°gas | -605.80 ± 4.50 | kJ/mol | NIST |
| ΔfH°gas | -602.50 ± 2.60 | kJ/mol | NIST |
| ΔfH°liquid | [-633.40; -630.10] | kJ/mol |
|
| ΔfH°liquid | -633.40 ± 4.30 | kJ/mol | NIST |
| ΔfH°liquid | -630.10 ± 2.90 | kJ/mol | NIST |
| ΔvapH° | [27.20; 27.60] | kJ/mol |
|
| ΔvapH° | 27.60 ± 1.30 | kJ/mol | NIST |
| ΔvapH° | 27.20 | kJ/mol | NIST |
| IE | [8.00; 8.80] | eV |
|
| IE | 8.27 ± 0.04 | eV | NIST |
| IE | 8.00 | eV | NIST |
| IE | 8.80 ± 0.20 | eV | NIST |
| IE | 8.21 ± 0.03 | eV | NIST |
| IE | 8.32 ± 0.01 | eV | NIST |
| IE | 8.28 ± 0.01 | eV | NIST |
| IE | 8.24 ± 0.14 | eV | NIST |
| IE | 8.75 ± 0.07 | eV | NIST |
| IE | 8.35 ± 0.15 | eV | NIST |
| IE | 8.57 ± 0.10 | eV | NIST |
| IE | 8.64 ± 0.15 | eV | NIST |
| IE | 8.28 ± 0.03 | eV | NIST |
| IE | 8.72 ± 0.01 | eV | NIST |
Cheméo can also estimate Normal Boiling Point Temperature, 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 | [29.50; 29.80] | kJ/mol | [282.50; 344.50] |
|
| ΔvapH | 29.50 | kJ/mol | 282.50 | NIST |
| ΔvapH | 29.80 | kJ/mol | 344.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [178.05; 197.78] | 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 | 1.42184e+02 | |||
| Coefficient B | 7.31514e+01 | |||
| Coefficient C | -2.93977e+01 | |||
| Coefficient D | 3.70153e+00 | |||
| Coefficient E | -1.08103e+00 | |||
| Reference | Chase, 1998 | |||
| Comment | F=-650.5869, G=560.9824, H=-601.5755; Data last reviewed in March, 1978 | |||
| Temperature range, min. | 700.00 | |||
| Temperature range, max. | 1500.00 | |||
| Cp,gas | 178.05 | J/mol×K | 700.00 | Calculated Property |
| Cp,gas | 181.68 | J/mol×K | 788.89 | Calculated Property |
| Cp,gas | 184.84 | J/mol×K | 877.78 | Calculated Property |
| Cp,gas | 187.61 | J/mol×K | 966.67 | Calculated Property |
| Cp,gas | 190.03 | J/mol×K | 1055.56 | Calculated Property |
| Cp,gas | 192.12 | J/mol×K | 1144.44 | Calculated Property |
| Cp,gas | 193.92 | J/mol×K | 1233.33 | Calculated Property |
| Cp,gas | 195.45 | J/mol×K | 1322.22 | Calculated Property |
| Cp,gas | 196.73 | J/mol×K | 1411.11 | Calculated Property |
| Cp,gas | 197.78 | J/mol×K | 1500.00 | Calculated Property |
| Cp,gas | [197.80; 209.09] | 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 | 2.02663e+02 | |||
| Coefficient B | 2.82612e+00 | |||
| Coefficient C | -4.56035e-01 | |||
| Coefficient D | 2.96120e-02 | |||
| Coefficient E | -1.83950e+01 | |||
| Reference | Chase, 1998 | |||
| Comment | F=-701.6484, G=609.6716, H=-601.5755; Data last reviewed in March, 1978 | |||
| Temperature range, min. | 1500.00 | |||
| Temperature range, max. | 6000.00 | |||
| Cp,gas | 197.80 | J/mol×K | 1500.00 | Calculated Property |
| Cp,gas | 202.13 | J/mol×K | 2000.00 | Calculated Property |
| Cp,gas | 204.40 | J/mol×K | 2500.00 | Calculated Property |
| Cp,gas | 205.79 | J/mol×K | 3000.00 | Calculated Property |
| Cp,gas | 206.74 | J/mol×K | 3500.00 | Calculated Property |
| Cp,gas | 207.42 | J/mol×K | 4000.00 | Calculated Property |
| Cp,gas | 207.94 | J/mol×K | 4500.00 | Calculated Property |
| Cp,gas | 208.36 | J/mol×K | 5000.00 | Calculated Property |
| Cp,gas | 208.73 | J/mol×K | 5500.00 | Calculated Property |
| Cp,gas | 209.09 | J/mol×K | 6000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | [203.33; 225.52] | 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 | 1.86000e+02 | |||
| Coefficient B | 5.86990e+01 | |||
| Coefficient C | -5.14297e+00 | |||
| Coefficient D | 2.65113e+00 | |||
| Coefficient E | 1.95140e-02 | |||
| Reference | Chase, 1998 | |||
| Comment | F=-689.7450, G=527.4643, H=-631.7840; Data last reviewed in March, 1978 | |||
| Temperature range, min. | 298.00 | |||
| Temperature range, max. | 700.00 | |||
| Cp,liquid | 203.33 | J/mol×K | 298.00 | Calculated Property |
| Cp,liquid | 205.78 | J/mol×K | 342.67 | Calculated Property |
| Cp,liquid | 208.25 | J/mol×K | 387.33 | Calculated Property |
| Cp,liquid | 210.72 | J/mol×K | 432.00 | Calculated Property |
| Cp,liquid | 213.18 | J/mol×K | 476.67 | Calculated Property |
| Cp,liquid | 215.65 | J/mol×K | 521.33 | Calculated Property |
| Cp,liquid | 218.12 | J/mol×K | 566.00 | Calculated Property |
| Cp,liquid | 220.58 | J/mol×K | 610.67 | Calculated Property |
| Cp,liquid | 223.05 | J/mol×K | 655.33 | Calculated Property |
| Cp,liquid | 225.52 | J/mol×K | 700.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [228.05; 336.69] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.45275e+01 | |||
| Coefficient B | -2.83786e+03 | |||
| Coefficient C | -2.87620e+01 | |||
| Temperature range, min. | 228.05 | |||
| Temperature range, max. | 336.69 | |||
| Pvap | 1.33 | kPa | 228.05 | Calculated Property |
| Pvap | 3.01 | kPa | 240.12 | Calculated Property |
| Pvap | 6.21 | kPa | 252.19 | Calculated Property |
| Pvap | 11.91 | kPa | 264.26 | Calculated Property |
| Pvap | 21.43 | kPa | 276.33 | Calculated Property |
| Pvap | 36.51 | kPa | 288.41 | Calculated Property |
| Pvap | 59.34 | kPa | 300.48 | Calculated Property |
| Pvap | 92.52 | kPa | 312.55 | Calculated Property |
| Pvap | 139.14 | kPa | 324.62 | Calculated Property |
| Pvap | 202.65 | kPa | 336.69 | Calculated Property |
| Pvap | [5.32; 100.77] | kPa | [250.00; 315.70] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.52831e+01 | |||
| Coefficient B | -3.24443e+03 | |||
| Coefficient C | -1.16370e+01 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 250.00 | |||
| Temperature range, max. | 315.70 | |||
| Pvap | 5.32 | kPa | 250.00 | Calculated Property |
| Pvap | 7.97 | kPa | 257.30 | Calculated Property |
| Pvap | 11.67 | kPa | 264.60 | Calculated Property |
| Pvap | 16.73 | kPa | 271.90 | Calculated Property |
| Pvap | 23.51 | kPa | 279.20 | Calculated Property |
| Pvap | 32.44 | kPa | 286.50 | Calculated Property |
| Pvap | 44.02 | kPa | 293.80 | Calculated Property |
| Pvap | 58.83 | kPa | 301.10 | Calculated Property |
| Pvap | 77.50 | kPa | 308.40 | Calculated Property |
| Pvap | 100.77 | kPa | 315.70 | Calculated Property |
Similar Compounds
Find more compounds similar to Nickel tetracarbonyl.
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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.