- InChI
- InChI=1S/C4H6N2/c1-4(6)2-3-5/h2H,6H2,1H3/b4-2+
- InChI Key
- DELJOESCKJGFML-DUXPYHPUSA-N
- Formula
- C4H6N2
- SMILES
- CC(N)=CC#N
- Molecular Weight1
- 82.10
- CAS
- 1118-61-2
- Other Names
-
- «beta»-Aminocrotononitrile
- 3-Aminocrotonitrile
- «beta»-Aminocrotonitrile
- 2-Butenenitrile, 3-amino-
- 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° | 254.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 180.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.66 | kJ/mol | Joback Calculated Property |
| log10WS | -1.15 | Crippen Calculated Property | |
| logPoct/wat | 0.372 | Crippen Calculated Property | |
| McVol | 74.280 | ml/mol | McGowan Calculated Property |
| Pc | 4368.40 | kPa | Joback Calculated Property |
| Tboil | 469.57 | K | Joback Calculated Property |
| Tc | 690.56 | K | Joback Calculated Property |
| Tfus | 264.05 | K | Joback Calculated Property |
| Vc | 0.295 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [141.79; 175.73] | J/mol×K | [469.57; 690.56] | 
|
| Cp,gas | 141.79 | J/mol×K | 469.57 | Joback Calculated Property |
| Cp,gas | 148.41 | J/mol×K | 506.40 | Joback Calculated Property |
| Cp,gas | 154.61 | J/mol×K | 543.23 | Joback Calculated Property |
| Cp,gas | 160.41 | J/mol×K | 580.07 | Joback Calculated Property |
| Cp,gas | 165.85 | J/mol×K | 616.90 | Joback Calculated Property |
| Cp,gas | 170.95 | J/mol×K | 653.73 | Joback Calculated Property |
| Cp,gas | 175.73 | J/mol×K | 690.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Aminocrotononitrile.
Sources
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