- InChI
- InChI=1S/C5H8N2/c1-7(2)5-3-4-6/h3,5H,1-2H3
- InChI Key
- ZKKBIZXAEDFPNL-UHFFFAOYSA-N
- Formula
- C5H8N2
- SMILES
- CN(C)C=CC#N
- Molecular Weight1
- 96.13
- Other Names
-
- 3-(Dimethylamino)acrylonitrile,c&t
- 2-Propenenitrile, 3-(dimethylamino)-
- Dimethylaminoacrylonitryl
- 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).
- ΔvapH° : Enthalpy of vaporization 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 |
|---|---|---|---|
| ΔfH°gas | 177.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.08 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.585 | Crippen Calculated Property | |
| McVol | 88.370 | ml/mol | McGowan Calculated Property |
| Tboil | 488.09 | K | Relay (1.0) Calculated Property |
| Tfus | 284.27 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [164.55; 209.45] | J/mol×K | [432.68; 630.95] | 
|
| Cp,gas | 164.55 | J/mol×K | 432.68 | Joback Calculated Property |
| Cp,gas | 173.23 | J/mol×K | 465.72 | Joback Calculated Property |
| Cp,gas | 181.40 | J/mol×K | 498.77 | Joback Calculated Property |
| Cp,gas | 189.07 | J/mol×K | 531.81 | Joback Calculated Property |
| Cp,gas | 196.29 | J/mol×K | 564.86 | Joback Calculated Property |
| Cp,gas | 203.07 | J/mol×K | 597.90 | Joback Calculated Property |
| Cp,gas | 209.45 | J/mol×K | 630.95 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 351.20 | K | 0.04 | NIST |
Similar Compounds
Find more compounds similar to 3-Dimethylaminoacrylonitrile.
Sources
- 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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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