- InChI
- InChI=1S/C10H13N/c1-2-5-9-6-4-8-11-10(9)7-3-1/h4,6,8H,1-3,5,7H2
- InChI Key
- CULUYAUTCSKQNM-UHFFFAOYSA-N
- Formula
- C10H13N
- SMILES
- c1cnc2c(c1)CCCCC2
- Molecular Weight1
- 147.22
- CAS
- 7197-96-8
- Other Names
-
- 5H-Cyclohepta[b]pyridine, 6,7,8,9-tetrahydro-
- 6,7,8,9-tetrahydro-5H-cyclohepta(b)pyridine
- 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 | 0.3519 | Relay (1.0) Calculated Property | |
| ΔfG° | 218.38 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 65.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 58.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.350 | Crippen Calculated Property | |
| McVol | 127.120 | ml/mol | McGowan Calculated Property |
| Pc | 3684.24 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 522.32 | K | Relay (1.0) Calculated Property |
| Tc | 769.32 | K | Relay (1.0) Calculated Property |
| Tfus | 267.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.457 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,3-Cycloheptenopyridine.
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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