- InChI
- InChI=1S/C11H17N/c1-9(2)4-6-11-7-5-10(3)8-12-11/h5,7-9H,4,6H2,1-3H3
- InChI Key
- JSPQTJXSMXIDKA-UHFFFAOYSA-N
- Formula
- C11H17N
- SMILES
- Cc1ccc(CCC(C)C)nc1
- Molecular Weight1
- 163.26
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.4630 | Relay (... Calculated Property | |
| ΔfG° | 169.59 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -22.94 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 59.34 | kJ/mol | Relay (... Calculated Property |
| IE | 8.83 | eV | Relay (... Calculated Property |
| log10WS | -1.94 | Relay (... Calculated Property | |
| logPoct/wat | 2.979 | Crippen Calculated Property | |
| McVol | 152.070 | ml/mol | McGowan Calculated Property |
| Pc | 2615.39 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1267.00; 1267.00] |
|
|
| Inp | 1267.00 | NIST | |
| Inp | 1267.00 | NIST | |
| Tboil | 501.01 | K | Relay (... Calculated Property |
| Tc | 704.89 | K | Relay (... Calculated Property |
| Tfus | 245.14 | K | Relay (... Calculated Property |
| Vc | 0.565 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Pyridine, 2-isopentyl-5-methyl.
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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