- InChI
- InChI=1S/C2H4N2/c3-1-2-4/h1,3H2
- InChI Key
- DFNYGALUNNFWKJ-UHFFFAOYSA-N
- Formula
- C2H4N2
- SMILES
- N#CCN
- Molecular Weight1
- 56.07
- Other Names
-
- 2-Aminoacetonitrile
- AAN
- Acetonitrile, amino-
- Cyanomethylamine
- Glycinenitrile
- Glycinonitrile
- H2NCH2CN
- NCCH2NH2
- «alpha»-Aminoacetonitrile
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 824.90 | kJ/mol | NIST |
| BasG | 791.00 | kJ/mol | NIST |
| ΔfH°gas | 136.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.64 | kJ/mol | Joback Calculated Property |
| IE | 10.06 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | -0.531 | Crippen Calculated Property | |
| McVol | 50.400 | ml/mol | McGowan Calculated Property |
| Tboil | 456.20 | K | Relay (1.0) Calculated Property |
| Tfus | 374.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [331.00; 331.20] | K | [2.00; 2.00] |
|
| Tboilr | 331.20 | K | 2.00 | NIST |
| Tboilr | 331.00 | K | 2.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [69.66; 134.96] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.45610e+01 | |||
| Coefficient B | 1.90500e-01 | |||
| Coefficient C | -9.74000e-05 | |||
| Coefficient D | 1.73000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 69.66 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 80.53 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 90.37 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 99.23 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 107.17 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 114.25 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 120.51 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 126.01 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 130.81 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 134.96 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to AMINOACETONITRILE.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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