- InChI
- InChI=1S/C3H4N/c1-2-3-4/h2H,1H3
- InChI Key
- VQGISNOMGHCEPX-UHFFFAOYSA-N
- Formula
- C3H4N
- SMILES
- C[CH]C#N
- Molecular Weight1
- 54.07
- CAS
- 3264-99-1
- 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 | [1.50; 1.77] | eV |
|
| EA | 1.77 ± 0.01 | eV | NIST |
| EA | 1.50 ± 0.10 | eV | NIST |
| ΔfG° | 157.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 110.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 3.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 32.22 | kJ/mol | Joback Calculated Property |
| IE | 9.80 ± 0.10 | eV | NIST |
| log10WS | -0.56 | Crippen Calculated Property | |
| logPoct/wat | 0.734 | Crippen Calculated Property | |
| McVol | 52.360 | ml/mol | McGowan Calculated Property |
| Pc | 4571.55 | kPa | Joback Calculated Property |
| Tboil | 368.98 | K | Joback Calculated Property |
| Tc | 563.43 | K | Joback Calculated Property |
| Tfus | 189.93 | K | Joback Calculated Property |
| Vc | 0.214 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [80.71; 103.80] | J/mol×K | [368.98; 563.43] |
|
| Cp,gas | 80.71 | J/mol×K | 368.98 | Joback Calculated Property |
| Cp,gas | 85.35 | J/mol×K | 401.39 | Joback Calculated Property |
| Cp,gas | 89.64 | J/mol×K | 433.80 | Joback Calculated Property |
| Cp,gas | 93.60 | J/mol×K | 466.21 | Joback Calculated Property |
| Cp,gas | 97.27 | J/mol×K | 498.61 | Joback Calculated Property |
| Cp,gas | 100.66 | J/mol×K | 531.02 | Joback Calculated Property |
| Cp,gas | 103.80 | J/mol×K | 563.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Cyanoethyl radical.
Sources
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