- InChI
- InChI=1S/C4H8N2/c1-4(6)2-3-5/h4H,2,6H2,1H3
- InChI Key
- PPBSMPOYVPZOFM-UHFFFAOYSA-N
- Formula
- C4H8N2
- SMILES
- CC(N)CC#N
- Molecular Weight1
- 84.12
- CAS
- 16750-40-6
- 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).
- 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° | 179.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 67.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.23 | kJ/mol | Joback Calculated Property |
| log10WS | -0.91 | Crippen Calculated Property | |
| logPoct/wat | 0.247 | Crippen Calculated Property | |
| McVol | 78.580 | ml/mol | McGowan Calculated Property |
| Pc | 4098.62 | kPa | Joback Calculated Property |
| Tboil | 465.09 | K | Joback Calculated Property |
| Tc | 676.22 | K | Joback Calculated Property |
| Tfus | 268.09 | K | Joback Calculated Property |
| Vc | 0.308 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [159.57; 199.17] | J/mol×K | [465.09; 676.22] | 
|
| Cp,gas | 159.57 | J/mol×K | 465.09 | Joback Calculated Property |
| Cp,gas | 167.05 | J/mol×K | 500.28 | Joback Calculated Property |
| Cp,gas | 174.17 | J/mol×K | 535.47 | Joback Calculated Property |
| Cp,gas | 180.93 | J/mol×K | 570.65 | Joback Calculated Property |
| Cp,gas | 187.34 | J/mol×K | 605.84 | Joback Calculated Property |
| Cp,gas | 193.42 | J/mol×K | 641.03 | Joback Calculated Property |
| Cp,gas | 199.17 | J/mol×K | 676.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Aminobutyronitrile.
Sources
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