- InChI
- InChI=1S/C10H18N2/c11-7-3-6-10-12-8-4-1-2-5-9-12/h1-6,8-10H2
- InChI Key
- OQPSAQBHEQYYMJ-UHFFFAOYSA-N
- Formula
- C10H18N2
- SMILES
- N#CCCCN1CCCCCC1
- Molecular Weight1
- 166.26
- CAS
- 3194-43-2
- Other Names
-
- 4-(n-Hexamethyleneimino)butyronitrile
- 1H-Azepine-1-butanenitrile, hexahydro-
- Butyronitrile, 1-(hexahydro-1H-azepin-1-yl)-
- 1H-Azepine-1-butyronitrile, hexahydro-
- 1-(Hexahydro-1H-azepin-1-yl)butyronitrile
- hexahydro-1H-azepine-1-butyronitrile
- 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 | 0.5093 | Relay (1.0) Calculated Property | |
| ΔfG° | 252.50 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -13.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 67.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.166 | Crippen Calculated Property | |
| McVol | 152.260 | ml/mol | McGowan Calculated Property |
| Pc | 2586.51 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 544.28 | K | Relay (1.0) Calculated Property |
| Tc | 768.62 | K | Relay (1.0) Calculated Property |
| Tfus | 267.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.535 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 4-Hexamethyleneiminobutyronitrile.
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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