- InChI
- InChI=1S/C2H3N/c1-3-2/h1H3
- InChI Key
- ZRKSVHFXTRFQFL-UHFFFAOYSA-N
- Formula
- C2H3N
- SMILES
- [C-]#[N+]C
- Molecular Weight1
- 41.05
- CAS
- 593-75-9
- Other Names
-
- Methane, isocyano-
- Isocyanomethane
- Methyl isonitrile
- CH3NC
- 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).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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).
- I : Polar retention indices.
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 839.10 | kJ/mol | NIST |
| BasG | [806.60; 848.60] | kJ/mol |
|
| BasG | 806.60 | kJ/mol | NIST |
| BasG | 848.60 ± 5.30 | kJ/mol | NIST |
| ΔcH°liquid | [-1333.00; -1333.00] | kJ/mol |
|
| ΔcH°liquid | -1333.00 | kJ/mol | NIST |
| ΔcH°liquid | -1333.00 | kJ/mol | NIST |
| ΔfH°gas | [142.80; 163.50] | kJ/mol |
|
| ΔfH°gas | 163.50 ± 7.20 | kJ/mol | NIST |
| ΔfH°gas | 142.80 | kJ/mol | NIST |
| ΔfH°liquid | [112.00; 132.70] | kJ/mol |
|
| ΔfH°liquid | 132.70 ± 7.30 | kJ/mol | NIST |
| ΔfH°liquid | 112.00 | kJ/mol | NIST |
| ΔfusH° | 2.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [30.80; 30.80] | kJ/mol |
|
| ΔvapH° | 30.80 ± 1.00 | kJ/mol | NIST |
| ΔvapH° | 30.80 | kJ/mol | NIST |
| IE | [11.24; 11.83] | eV |
|
| IE | 11.53 ± 0.04 | eV | NIST |
| IE | 11.50 ± 0.25 | eV | NIST |
| IE | 11.24 | eV | NIST |
| IE | 11.24 | eV | NIST |
| IE | Outlier 11.83 | eV | NIST |
| IE | 11.27 | eV | NIST |
| IE | 11.32 | eV | NIST |
| logPoct/wat | 0.535 | Crippen Calculated Property | |
| McVol | 40.420 | ml/mol | McGowan Calculated Property |
| I | [1002.00; 1010.00] |
|
|
| I | 1010.00 | NIST | |
| I | 1002.00 | NIST | |
| I | 1010.00 | NIST | |
| Tfus | 228.15 ± 3.00 | K | NIST |
Cheméo can also estimate Normal Boiling Point Temperature, 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 |
|---|---|---|---|---|
| Cp,gas | [56.48; 72.87] | J/mol×K | [347.24; 541.37] |
|
| Cp,gas | 56.48 | J/mol×K | 347.24 | Joback Calculated Property |
| Cp,gas | 59.46 | J/mol×K | 379.59 | Joback Calculated Property |
| Cp,gas | 62.33 | J/mol×K | 411.95 | Joback Calculated Property |
| Cp,gas | 65.11 | J/mol×K | 444.30 | Joback Calculated Property |
| Cp,gas | 67.79 | J/mol×K | 476.66 | Joback Calculated Property |
| Cp,gas | 70.38 | J/mol×K | 509.01 | Joback Calculated Property |
| Cp,gas | 72.87 | J/mol×K | 541.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl isocyanide.
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.
- Crippen Method
- Crippen Method
- Joback 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.
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