- InChI
- InChI=1S/C3H6N2/c4-2-1-3-5/h1-2,4H2
- InChI Key
- AGSPXMVUFBBBMO-UHFFFAOYSA-N
- Formula
- C3H6N2
- SMILES
- N#CCCN
- Molecular Weight1
- 70.09
- CAS
- 151-18-8
- Other Names
-
- 3-Aminopropanenitrile
- H2NCH2CH2CN
- «beta»-Aminoethyl cyanide
- «beta»-Aminopropionitrile
- Propanenitrile, 3-amino-
- «beta»-Alaninenitrile
- «beta»-Cyanoethylamine
- Aminopropionitrile
- BAPN
- Propionitrile, 3-amino-
- 2-Cyanoethylamine
- NSC 40641
- 3-aminopropiononitrile
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| ω | 0.4916 | Relay (1.0) Calculated Property | |
| PAff | 866.40 | kJ/mol | NIST |
| BasG | 832.50 | kJ/mol | NIST |
| ΔfG° | 174.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 89.75 | kJ/mol | NIST |
| ΔfusH° | 10.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.40 | eV | Relay (1.0) Calculated Property |
| log10WS | 1.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.141 | Crippen Calculated Property | |
| McVol | 64.490 | ml/mol | McGowan Calculated Property |
| Pc | 4602.62 | kPa | Joback Calculated Property |
| Inp | [789.00; 789.00] |
|
|
| Inp | 789.00 | NIST | |
| Inp | 789.00 | NIST | |
| Tboil | 476.94 | K | Relay (1.0) Calculated Property |
| Tc | 658.36 | K | Relay (1.0) Calculated Property |
| Tfus | 260.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.241 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [122.82; 153.31] | J/mol×K | [442.65; 651.61] |
|
| Cp,gas | 122.82 | J/mol×K | 442.65 | Joback Calculated Property |
| Cp,gas | 128.54 | J/mol×K | 477.48 | Joback Calculated Property |
| Cp,gas | 134.00 | J/mol×K | 512.30 | Joback Calculated Property |
| Cp,gas | 139.20 | J/mol×K | 547.13 | Joback Calculated Property |
| Cp,gas | 144.15 | J/mol×K | 581.96 | Joback Calculated Property |
| Cp,gas | 148.85 | J/mol×K | 616.79 | Joback Calculated Property |
| Cp,gas | 153.31 | J/mol×K | 651.61 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 353.00 ± 1.00 | K | 2.10 | NIST |
Similar Compounds
Find more compounds similar to 3-Aminopropionitrile.
Sources
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