- InChI
- InChI=1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h3,5,7H,1-2,4,6H2
- InChI Key
- YQDGQEKUTLYWJU-UHFFFAOYSA-N
- Formula
- C9H11N
- SMILES
- c1cnc2c(c1)CCCC2
- Molecular Weight1
- 133.19
- CAS
- 10500-57-9
- Other Names
-
- 5,6,7,8-Tetrahydroquinoline
- 2,3-Cyclohexenopyridine
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 966.00 | kJ/mol | NIST |
| BasG | 934.10 | kJ/mol | NIST |
| ΔcH°liquid | -5127.00 ± 1.20 | kJ/mol | NIST |
| ΔfH°gas | 71.00 ± 1.20 | kJ/mol | NIST |
| ΔfH°liquid | 13.40 ± 1.20 | kJ/mol | NIST |
| ΔvapH° | [57.56; 57.60] | kJ/mol |
|
| ΔvapH° | 57.56 | kJ/mol | NIST |
| ΔvapH° | 57.60 | kJ/mol | NIST |
| ΔvapH° | 57.60 ± 0.20 | kJ/mol | NIST |
| IE | 9.10 | eV | NIST |
| log10WS | -2.74 | Crippen Calculated Property | |
| logPoct/wat | 1.960 | Crippen Calculated Property | |
| McVol | 113.030 | ml/mol | McGowan Calculated Property |
| Inp | [226.54; 1257.00] |
|
|
| Inp | 1257.00 | NIST | |
| Inp | 226.54 | NIST | |
| Inp | 227.19 | NIST | |
| Inp | 227.19 | NIST | |
| I | 1832.00 | NIST | |
| S°liquid | [248.69; 248.73] | J/mol×K |
|
| S°liquid | 248.73 | J/mol×K | NIST |
| S°liquid | 248.69 | J/mol×K | NIST |
| Tboil | [491.20; 495.20] | K |
|
| Tboil | 491.20 | K | NIST |
| Tboil | 495.20 | K | NIST |
| Tfus | 222.63 | K | NIST |
| Ttriple | 222.63 ± 0.01 | K | NIST |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | [217.33; 217.41] | J/mol×K | [298.15; 298.15] |
|
| Cp,liquid | 217.41 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 217.33 | J/mol×K | 298.15 | NIST |
| ΔfusH | [9.08; 9.08] | kJ/mol | [222.70; 222.70] |
|
| ΔfusH | 9.08 | kJ/mol | 222.70 | NIST |
| ΔfusH | 9.08 | kJ/mol | 222.70 | NIST |
| ΔvapH | [43.50; 56.10] | kJ/mol | [423.50; 423.50] |
|
| ΔvapH | 56.10 ± 0.10 | kJ/mol | 423.50 | NIST |
| ΔvapH | 53.60 ± 0.10 | kJ/mol | 423.50 | NIST |
| ΔvapH | 51.10 ± 0.10 | kJ/mol | 423.50 | NIST |
| ΔvapH | 48.70 ± 0.30 | kJ/mol | 423.50 | NIST |
| ΔvapH | 46.20 ± 0.40 | kJ/mol | 423.50 | NIST |
| ΔvapH | 43.50 ± 0.50 | kJ/mol | 423.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 366.70 | K | 1.60 | NIST |
Similar Compounds
Find more compounds similar to Quinoline, 5,6,7,8-tetrahydro-.
Sources
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