- InChI
- InChI=1S/C5H9N3/c1-8(2)5-7-4-3-6/h5H,4H2,1-2H3
- InChI Key
- NWYJIMZYZKAACO-UHFFFAOYSA-N
- Formula
- C5H9N3
- SMILES
- CN(C)C=NCC#N
- Molecular Weight1
- 111.15
- CAS
- 134166-58-8
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.4900 | Relay (... Calculated Property | |
| PAff | 948.00 | kJ/mol | NIST |
| BasG | 915.50 | kJ/mol | NIST |
| ΔfG° | 292.31 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 179.13 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 63.39 | kJ/mol | Relay (... Calculated Property |
| IE | 8.46 | eV | Relay (... Calculated Property |
| log10WS | 0.20 | Relay (... Calculated Property | |
| logPoct/wat | 0.100 | Crippen Calculated Property | |
| McVol | 98.350 | ml/mol | McGowan Calculated Property |
| Pc | 2986.06 | kPa | Joback Calculated Property |
| Tboil | 508.69 | K | Relay (... Calculated Property |
| Tc | 670.27 | K | Relay (... Calculated Property |
| Tfus | 291.57 | K | Relay (... Calculated Property |
| Vc | 0.372 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to (CH3)2N-CH=N-CH2CN.
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
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