- InChI
- InChI=1S/C6H11N3/c1-9(2)6-8-5-3-4-7/h6H,3,5H2,1-2H3
- InChI Key
- HHIMRLAMENYLGA-UHFFFAOYSA-N
- Formula
- C6H11N3
- SMILES
- CN(C)C=NCCC#N
- Molecular Weight1
- 125.17
- CAS
- 134166-60-2
- 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 | 0.5265 | Relay (... Calculated Property | |
| PAff | 980.80 | kJ/mol | NIST |
| BasG | 948.30 | kJ/mol | NIST |
| ΔfG° | 286.09 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 149.46 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 66.18 | kJ/mol | Relay (... Calculated Property |
| IE | 8.72 | eV | Relay (... Calculated Property |
| log10WS | 0.38 | Relay (... Calculated Property | |
| logPoct/wat | 0.490 | Crippen Calculated Property | |
| McVol | 112.440 | ml/mol | McGowan Calculated Property |
| Pc | 2695.80 | kPa | Joback Calculated Property |
| Tboil | 547.65 | K | Relay (... Calculated Property |
| Tc | 714.38 | K | Relay (... Calculated Property |
| Tfus | 277.97 | K | Relay (... Calculated Property |
| Vc | 0.423 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to (CH3)2N-CH=N-CH2CH2CN.
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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