- InChI
- InChI=1S/C2H2N/c1-2-3/h1H2
- InChI Key
- XSTKDMFTWATIQP-UHFFFAOYSA-N
- Formula
- C2H2N
- SMILES
- [CH2]C#N
- Molecular Weight1
- 40.04
- CAS
- 2932-82-3
- 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).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- 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).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| EA | [1.51; 1.60] | eV |
|
| EA | 1.53 ± 0.01 | eV | NIST |
| EA | 1.54 ± 0.01 | eV | NIST |
| EA | 1.59 ± 0.13 | eV | NIST |
| EA | 1.56 ± 0.01 | eV | NIST |
| EA | 1.51 ± 0.02 | eV | NIST |
| EA | 1.60 ± 0.20 | eV | NIST |
| ΔfG° | 151.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 136.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 4.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 30.38 | kJ/mol | Joback Calculated Property |
| IE | [9.90; 10.90] | eV |
|
| IE | 9.90 ± 0.10 | eV | NIST |
| IE | 10.00 | eV | NIST |
| IE | 10.90 ± 0.10 | eV | NIST |
| IE | 10.30 ± 0.02 | eV | NIST |
| log10WS | -0.14 | Crippen Calculated Property | |
| logPoct/wat | 0.344 | Crippen Calculated Property | |
| McVol | 38.270 | ml/mol | McGowan Calculated Property |
| Pc | 5168.28 | kPa | Joback Calculated Property |
| Tboil | 346.54 | K | Joback Calculated Property |
| Tc | 536.93 | K | Joback Calculated Property |
| Tfus | 193.66 | K | Joback Calculated Property |
| Vc | 0.165 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [51.34; 64.49] | J/mol×K | [346.54; 536.93] |
|
| Cp,gas | 51.34 | J/mol×K | 346.54 | Joback Calculated Property |
| Cp,gas | 54.12 | J/mol×K | 378.27 | Joback Calculated Property |
| Cp,gas | 56.64 | J/mol×K | 410.00 | Joback Calculated Property |
| Cp,gas | 58.91 | J/mol×K | 441.73 | Joback Calculated Property |
| Cp,gas | 60.96 | J/mol×K | 473.47 | Joback Calculated Property |
| Cp,gas | 62.81 | J/mol×K | 505.20 | Joback Calculated Property |
| Cp,gas | 64.49 | J/mol×K | 536.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyanomethyl radical.
Sources
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