- InChI
- InChI=1S/CN2/c1-3-2
- InChI Key
- QDZARNQKIZUXDK-UHFFFAOYSA-N
- Formula
- CN2
- SMILES
- [C]=[N+]=[N-]
- Molecular Weight1
- 40.02
- CAS
- 2468-81-7
- Other Names
-
- Diazomethylene
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| EA | 1.76 ± 0.01 | eV | NIST |
| ΔfH°gas | 573.50 ± 3.20 | kJ/mol | Active Thermochemical Tables 1.112, gas-phase enthalpies of formation Compiled value |
| logPoct/wat | -0.329 | Crippen Calculated Property | |
| McVol | 32.010 | ml/mol | McGowan Calculated Property |
Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [42.27; 57.56] | J/mol×K | [298.00; 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 | 3.78854e+01 | |||
| Coefficient B | 2.57419e+01 | |||
| Coefficient C | -1.11658e+01 | |||
| Coefficient D | 1.86027e+00 | |||
| Coefficient E | -2.08487e-01 | |||
| Reference | Chase, 1998 | |||
| Comment | F=571.4600, G=269.1930, H=584.5050; Data last reviewed in June, 1966 | |||
| Temperature range, min. | 298.00 | |||
| Temperature range, max. | 1500.00 | |||
| Cp,gas | 42.27 | J/mol×K | 298.00 | Calculated Property |
| Cp,gas | 45.95 | J/mol×K | 431.56 | Calculated Property |
| Cp,gas | 48.55 | J/mol×K | 565.11 | Calculated Property |
| Cp,gas | 50.63 | J/mol×K | 698.67 | Calculated Property |
| Cp,gas | 52.35 | J/mol×K | 832.22 | Calculated Property |
| Cp,gas | 53.78 | J/mol×K | 965.78 | Calculated Property |
| Cp,gas | 54.99 | J/mol×K | 1099.33 | Calculated Property |
| Cp,gas | 56.00 | J/mol×K | 1232.89 | Calculated Property |
| Cp,gas | 56.85 | J/mol×K | 1366.44 | Calculated Property |
| Cp,gas | 57.56 | J/mol×K | 1500.00 | Calculated Property |
| Cp,gas | [57.47; 61.98] | 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 | 5.94392e+01 | |||
| Coefficient B | 1.34718e+00 | |||
| Coefficient C | -2.34157e-01 | |||
| Coefficient D | 1.43610e-02 | |||
| Coefficient E | -7.89141e+00 | |||
| Reference | Chase, 1998 | |||
| Comment | F=551.4970, G=285.1220, H=584.5050; Data last reviewed in June, 1966 | |||
| Temperature range, min. | 1500.00 | |||
| Temperature range, max. | 6000.00 | |||
| Cp,gas | 57.47 | J/mol×K | 1500.00 | Calculated Property |
| Cp,gas | 59.34 | J/mol×K | 2000.00 | Calculated Property |
| Cp,gas | 60.31 | J/mol×K | 2500.00 | Calculated Property |
| Cp,gas | 60.88 | J/mol×K | 3000.00 | Calculated Property |
| Cp,gas | 61.26 | J/mol×K | 3500.00 | Calculated Property |
| Cp,gas | 61.51 | J/mol×K | 4000.00 | Calculated Property |
| Cp,gas | 61.68 | J/mol×K | 4500.00 | Calculated Property |
| Cp,gas | 61.80 | J/mol×K | 5000.00 | Calculated Property |
| Cp,gas | 61.89 | J/mol×K | 5500.00 | Calculated Property |
| Cp,gas | 61.98 | J/mol×K | 6000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to CNN Radical.
Sources
- Active Thermochemical Tables 1.112, gas-phase enthalpies of formation ChEDL chemicals 1.5.2, from Active Thermochemical Tables (ATcT), version 1.112, Argonne National Laboratory; Ruscic, B. et al. Active Thermochemical Tables: Thermochemistry for the 21st Century. J. Phys.: Conf. Ser. 2005, 16, 561.
- 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.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.