- InChI
- InChI=1S/C9H15N/c1-9(2)5-8-10-6-3-4-7-10/h3-4,6-7,9H,5,8H2,1-2H3
- InChI Key
- QNFYLUDPMZVIOW-UHFFFAOYSA-N
- Formula
- C9H15N
- SMILES
- CC(C)CCn1cccc1
- Molecular Weight1
- 137.22
- 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).
- I : 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 | 0.4063 | Relay (1.0) Calculated Property | |
| ΔfG° | 176.86 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -11.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 57.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.534 | Crippen Calculated Property | |
| McVol | 128.190 | ml/mol | McGowan Calculated Property |
| Pc | 2768.25 | kPa | Relay (1.0-beta) Calculated Property |
| I | [1378.00; 1392.00] |
|
|
| I | 1378.00 | NIST | |
| I | 1392.00 | NIST | |
| I | 1378.00 | NIST | |
| Tboil | 457.65 | K | Relay (1.0) Calculated Property |
| Tc | 667.04 | K | Relay (1.0) Calculated Property |
| Tfus | 203.42 | K | Relay (1.0) Calculated Property |
| Vc | 0.482 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1-(3-Methylbutyl)pyrrole.
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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