- InChI
- InChI=1S/C5H8N2/c1-7(2)5-3-4-6/h3,5H,1-2H3/b5-3+
- InChI Key
- ZKKBIZXAEDFPNL-HWKANZROSA-N
- Formula
- C5H8N2
- SMILES
- CN(C)C=CC#N
- Molecular Weight1
- 96.13
- CAS
- 35520-41-3
- 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).
- 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 | 0.3767 | Relay (1.0) Calculated Property | |
| PAff | 896.80 | kJ/mol | NIST |
| BasG | 864.30 | kJ/mol | NIST |
| ΔfG° | 315.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 177.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.08 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.585 | Crippen Calculated Property | |
| McVol | 88.370 | ml/mol | McGowan Calculated Property |
| Pc | 3572.80 | kPa | Joback Calculated Property |
| Tboil | 488.09 | K | Relay (1.0) Calculated Property |
| Tc | 641.77 | K | Relay (1.0) Calculated Property |
| Tfus | 296.66 | K | Relay (1.0) Calculated Property |
| Vc | 0.329 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [164.49; 209.39] | J/mol×K | [432.48; 630.66] | 
|
| Cp,gas | 164.49 | J/mol×K | 432.48 | Joback Calculated Property |
| Cp,gas | 173.17 | J/mol×K | 465.51 | Joback Calculated Property |
| Cp,gas | 181.34 | J/mol×K | 498.54 | Joback Calculated Property |
| Cp,gas | 189.02 | J/mol×K | 531.57 | Joback Calculated Property |
| Cp,gas | 196.23 | J/mol×K | 564.60 | Joback Calculated Property |
| Cp,gas | 203.02 | J/mol×K | 597.63 | Joback Calculated Property |
| Cp,gas | 209.39 | J/mol×K | 630.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-dimethylamino acrylonitrile.
Sources
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