- InChI
- InChI=1S/C12H17N/c1-2-7-11-13(10-6-1)12-8-4-3-5-9-12/h3-5,8-9H,1-2,6-7,10-11H2
- InChI Key
- YMDZJGQBSPNMEF-UHFFFAOYSA-N
- Formula
- C12H17N
- SMILES
- c1ccc(N2CCCCCC2)cc1
- Molecular Weight1
- 175.27
- CAS
- 40832-99-3
- 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 | 0.3874 | Relay (... Calculated Property | |
| PAff | 956.60 | kJ/mol | NIST |
| BasG | 925.80 | kJ/mol | NIST |
| ΔfG° | 274.08 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 51.59 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 64.99 | kJ/mol | Relay (... Calculated Property |
| IE | 7.20 | eV | Relay (... Calculated Property |
| log10WS | -2.86 | Relay (... Calculated Property | |
| logPoct/wat | 3.067 | Crippen Calculated Property | |
| McVol | 155.300 | ml/mol | McGowan Calculated Property |
| Pc | 2892.79 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 548.09 | K | Relay (... Calculated Property |
| Tc | 779.93 | K | Relay (... Calculated Property |
| Tfus | 288.39 | K | Relay (... Calculated Property |
| Vc | 0.546 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 1-H-Azepine, hexahydro-1-phenyl.
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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