- InChI
- InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3/i1D3,2D2
- InChI Key
- FVSKHRXBFJPNKK-ZBJDZAJPSA-N
- Formula
- C3D5N
- SMILES
- CCC#N
- Molecular Weight1
- 60.11
- CAS
- 10419-75-7
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 |
|---|---|---|---|
| ΔfG° | 107.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 59.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 5.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 32.75 | kJ/mol | Joback Calculated Property |
| IE | 11.75 ± 0.05 | eV | NIST |
| log10WS | -0.94 | Crippen Calculated Property | |
| logPoct/wat | 0.920 | Crippen Calculated Property | |
| McVol | 54.510 | ml/mol | McGowan Calculated Property |
| Pc | 4266.28 | kPa | Joback Calculated Property |
| Tboil | 370.12 | K | Joback Calculated Property |
| Tc | 563.45 | K | Joback Calculated Property |
| Tfus | 188.56 | K | Joback Calculated Property |
| Vc | 0.230 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [86.00; 112.00] | J/mol×K | [370.12; 563.45] | 
|
| Cp,gas | 86.00 | J/mol×K | 370.12 | Joback Calculated Property |
| Cp,gas | 90.77 | J/mol×K | 402.34 | Joback Calculated Property |
| Cp,gas | 95.36 | J/mol×K | 434.56 | Joback Calculated Property |
| Cp,gas | 99.78 | J/mol×K | 466.78 | Joback Calculated Property |
| Cp,gas | 104.02 | J/mol×K | 499.00 | Joback Calculated Property |
| Cp,gas | 108.09 | J/mol×K | 531.23 | Joback Calculated Property |
| Cp,gas | 112.00 | J/mol×K | 563.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanenitrile-25.
Sources
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