![4H-Pyrrolo[3,2,1-ij]quinoline, 1,2,5,6-tetrahydro-6-methyl-](/cid/11-077-4/4H-Pyrrolo-3-2-1-ij-quinoline-1-2-5-6-tetrahydro-6-methyl.png "4H-Pyrrolo[3,2,1-ij]quinoline, 1,2,5,6-tetrahydro-6-methyl-")
- InChI
- InChI=1S/C12H15N/c1-9-5-7-13-8-6-10-3-2-4-11(9)12(10)13/h2-4,9H,5-8H2,1H3
- InChI Key
- ZVNKPQBRBWFFON-UHFFFAOYSA-N
- Formula
- C12H15N
- SMILES
- CC1CCN2CCc3cccc1c32
- Molecular Weight1
- 173.25
- CAS
- 40135-93-1
- Other Names
-
- 6-Methyllilolidine
- 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 | 0.4600 | Relay (1.0) Calculated Property | |
| ΔfG° | 241.33 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 77.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 67.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.556 | Crippen Calculated Property | |
| McVol | 144.440 | ml/mol | McGowan Calculated Property |
| Pc | 2883.68 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1498.00; 1498.00] |
|
|
| Inp | 1498.00 | NIST | |
| Inp | 1498.00 | NIST | |
| Tboil | 554.72 | K | Relay (1.0) Calculated Property |
| Tc | 806.72 | K | Relay (1.0) Calculated Property |
| Tfus | 305.53 | K | Relay (1.0) Calculated Property |
| Vc | 0.543 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 4H-Pyrrolo[3,2,1-ij]quinoline, 1,2,5,6-tetrahydro-6-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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