- InChI
- InChI=1S/C8H14N2/c9-5-8-10-6-3-1-2-4-7-10/h1-4,6-8H2
- InChI Key
- OHKGIEVCPHMZKY-UHFFFAOYSA-N
- Formula
- C8H14N2
- SMILES
- N#CCN1CCCCCC1
- Molecular Weight1
- 138.21
- CAS
- 54714-50-0
- Other Names
-
- 2-(n-Hexamethyleneimino)acetonitrile
- (n-Hexamethyleneimino)acetonitrile
- 1H-Azepine-1-acetonitrile, hexahydro-
- Acetonitrile, (hexahydro-1H-azepin-1-yl)-
- Hexahydro-1H-azepine-1-acetonitrile
- ω : Acentric Factor.
- 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 | 0.4018 | Relay (1.0) Calculated Property | |
| ΔfG° | 260.83 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 64.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 59.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.386 | Crippen Calculated Property | |
| McVol | 124.080 | ml/mol | McGowan Calculated Property |
| Pc | 3123.22 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 504.18 | K | Relay (1.0) Calculated Property |
| Tc | 721.33 | K | Relay (1.0) Calculated Property |
| Tfus | 271.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.430 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Hexamethyleneiminoacetonitrile.
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
- McGowan Method
- NIST Webbook
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