- InChI
- InChI=1S/C11H11N/c1-8-6-7-12-11-9(2)4-3-5-10(8)11/h3-7H,1-2H3
- InChI Key
- DULGUAMZWACUFO-UHFFFAOYSA-N
- Formula
- C11H11N
- SMILES
- Cc1ccnc2c(C)cccc12
- Molecular Weight1
- 157.21
- CAS
- 13362-80-6
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.4411 | Relay (... Calculated Property | |
| ΔfG° | 244.43 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 129.52 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 69.52 | kJ/mol | Relay (... Calculated Property |
| IE | 8.39 | eV | Relay (... Calculated Property |
| log10WS | -2.16 | Relay (... Calculated Property | |
| logPoct/wat | 2.852 | Crippen Calculated Property | |
| McVol | 132.610 | ml/mol | McGowan Calculated Property |
| Pc | 3962.81 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 531.70 | K | NIST |
| Tc | 805.35 | K | Relay (... Calculated Property |
| Tfus | [330.40; 331.00] | K |
|
| Tfus | 330.40 ± 0.70 | K | NIST |
| Tfus | 331.00 ± 4.00 | K | NIST |
| Vc | 0.500 | m3/kmol | Relay (... Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 407.70 | K | 1.60 | NIST |
Similar Compounds
Find more compounds similar to Quinoline, 4,8-dimethyl-.
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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