- InChI
- InChI=1S/C8H11N/c1-7(2)8-5-3-4-6-9-8/h3-7H,1-2H3
- InChI Key
- PFYPDUUXDADWKC-UHFFFAOYSA-N
- Formula
- C8H11N
- SMILES
- CC(C)c1ccccn1
- Molecular Weight1
- 121.18
- CAS
- 75981-47-4
- 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 | 0.3325 | Relay (1.0) Calculated Property | |
| PAff | 956.40 | kJ/mol | NIST |
| BasG | 924.60 | kJ/mol | NIST |
| ΔfG° | 173.63 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 29.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 49.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.205 | Crippen Calculated Property | |
| McVol | 109.800 | ml/mol | McGowan Calculated Property |
| Pc | 3488.65 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 431.94 | K | Relay (1.0) Calculated Property |
| Tc | 650.79 | K | Relay (1.0) Calculated Property |
| Tfus | 219.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.407 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-(i-C3H7)-pyridine.
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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