- InChI
- InChI=1S/C4H8N2/c1-6-4-2-3-5/h6H,2,4H2,1H3
- InChI Key
- UNIJBMUBHBAUET-UHFFFAOYSA-N
- Formula
- C4H8N2
- SMILES
- CNCCC#N
- Molecular Weight1
- 84.12
- CAS
- 693-05-0
- Other Names
-
- N-Methyl-«beta»-alaninenitrile
- 3-(Methylamino)propionitrile
- «beta»-Methylaminopropionitrile
- (2-Cyanoethyl)methyl amine
- N-«beta»-Cyanoethylmethylamine
- N-Methyl-«beta»-aminopropionitrile
- Propionitrile, 3-(methylamino)-
- 3-(N-Methylamino)propionitrile
- N-(2-Cyanoethyl)methylamine
- NSC 8399
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (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).
- ΔfH°liquid : Liquid phase 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).
- 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 |
|---|---|---|---|
| ω | 0.4652 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -2776.60 ± 1.60 | kJ/mol | NIST |
| ΔfG° | 205.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 97.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | 59.20 ± 1.60 | kJ/mol | NIST |
| ΔfusH° | 12.72 | kJ/mol | Joback Calculated Property |
| IE | 9.76 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.119 | Crippen Calculated Property | |
| McVol | 78.580 | ml/mol | McGowan Calculated Property |
| Pc | 3838.78 | kPa | Joback Calculated Property |
| Tboil | 458.60 | K | Relay (1.0) Calculated Property |
| Tc | 655.58 | K | Relay (1.0) Calculated Property |
| Tfus | 237.64 | K | Relay (1.0) Calculated Property |
| Vc | 0.304 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of vaporization at standard conditions, 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 | [152.08; 191.70] | J/mol×K | [443.37; 639.55] | 
|
| Cp,gas | 152.08 | J/mol×K | 443.37 | Joback Calculated Property |
| Cp,gas | 159.47 | J/mol×K | 476.07 | Joback Calculated Property |
| Cp,gas | 166.54 | J/mol×K | 508.76 | Joback Calculated Property |
| Cp,gas | 173.29 | J/mol×K | 541.46 | Joback Calculated Property |
| Cp,gas | 179.73 | J/mol×K | 574.16 | Joback Calculated Property |
| Cp,gas | 185.86 | J/mol×K | 606.85 | Joback Calculated Property |
| Cp,gas | 191.70 | J/mol×K | 639.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanenitrile, 3-(methylamino)-.
Sources
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