- InChI
- InChI=1S/CN2/c2-1-3
- InChI Key
- NFKMPKOGCRBAJF-UHFFFAOYSA-N
- Formula
- CN2
- SMILES
- [N]C#N
- Molecular Weight1
- 40.02
- CAS
- 2669-76-3
- Other Names
-
- Methanetetraylbisamidogen
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4088 | Relay (1.0) Calculated Property | |
| EA | [2.48; 2.48] | eV |
|
| EA | 2.48 ± 0.01 | eV | NIST |
| EA | 2.48 ± 0.01 | eV | NIST |
| ΔfG° | 173.89 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 445.70 ± 1.80 | kJ/mol | Active Thermochemical Tables 1.112, gas-phase enthalpies of formation Compiled value |
| ΔvapH° | 22.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.73 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | -0.464 | Crippen Calculated Property | |
| McVol | 32.010 | ml/mol | McGowan Calculated Property |
| Pc | 6076.48 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 311.84 | K | Relay (1.0) Calculated Property |
| Tc | 473.82 | K | Relay (1.0) Calculated Property |
| Tfus | 220.53 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, 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 | [42.16; 60.08] | 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 | 2.84107e+01 | |||
| Coefficient B | 6.12019e+01 | |||
| Coefficient C | -4.23472e+01 | |||
| Coefficient D | 1.04246e+01 | |||
| Coefficient E | -8.94300e-02 | |||
| Reference | Chase, 1998 | |||
| Comment | F=461.6530, G=243.6170, H=472.7920; Data last reviewed in December, 1970 | |||
| Temperature range, min. | 298.00 | |||
| Temperature range, max. | 1500.00 | |||
| Cp,gas | 42.16 | J/mol×K | 298.00 | Calculated Property |
| Cp,gas | 47.29 | J/mol×K | 431.56 | Calculated Property |
| Cp,gas | 51.07 | J/mol×K | 565.11 | Calculated Property |
| Cp,gas | 53.87 | J/mol×K | 698.67 | Calculated Property |
| Cp,gas | 55.89 | J/mol×K | 832.22 | Calculated Property |
| Cp,gas | 57.31 | J/mol×K | 965.78 | Calculated Property |
| Cp,gas | 58.29 | J/mol×K | 1099.33 | Calculated Property |
| Cp,gas | 58.97 | J/mol×K | 1232.89 | Calculated Property |
| Cp,gas | 59.52 | J/mol×K | 1366.44 | Calculated Property |
| Cp,gas | 60.08 | J/mol×K | 1500.00 | Calculated Property |
| Cp,gas | [60.01; 62.86] | 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 | 6.12587e+01 | |||
| Coefficient B | 7.93304e-01 | |||
| Coefficient C | -2.26095e-01 | |||
| Coefficient D | 2.36370e-02 | |||
| Coefficient E | -4.52815e+00 | |||
| Reference | Chase, 1998 | |||
| Comment | F=443.1640, G=284.2430, H=472.7920; Data last reviewed in December, 1970 | |||
| Temperature range, min. | 1500.00 | |||
| Temperature range, max. | 6000.00 | |||
| Cp,gas | 60.01 | J/mol×K | 1500.00 | Calculated Property |
| Cp,gas | 61.00 | J/mol×K | 2000.00 | Calculated Property |
| Cp,gas | 61.47 | J/mol×K | 2500.00 | Calculated Property |
| Cp,gas | 61.74 | J/mol×K | 3000.00 | Calculated Property |
| Cp,gas | 61.91 | J/mol×K | 3500.00 | Calculated Property |
| Cp,gas | 62.04 | J/mol×K | 4000.00 | Calculated Property |
| Cp,gas | 62.18 | J/mol×K | 4500.00 | Calculated Property |
| Cp,gas | 62.35 | J/mol×K | 5000.00 | Calculated Property |
| Cp,gas | 62.57 | J/mol×K | 5500.00 | Calculated Property |
| Cp,gas | 62.86 | J/mol×K | 6000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Amidogen, methanetetraylbis-.
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)
- 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
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