- InChI
- InChI=1S/C14H21N/c1-2-3-4-8-13-11-10-12-7-5-6-9-14(12)15-13/h5-7,9,13,15H,2-4,8,10-11H2,1H3
- InChI Key
- COWWTNSCQZQEAB-UHFFFAOYSA-N
- Formula
- C14H21N
- SMILES
- CCCCCC1CCc2ccccc2N1
- Molecular Weight1
- 203.32
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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 |
|---|---|---|---|
| ΔfG° | 306.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.54 | kJ/mol | Joback Calculated Property |
| log10WS | -4.38 | Crippen Calculated Property | |
| logPoct/wat | 3.994 | Crippen Calculated Property | |
| McVol | 183.480 | ml/mol | McGowan Calculated Property |
| Pc | 2342.82 | kPa | Joback Calculated Property |
| Inp | [1765.00; 1765.00] |
|
|
| Inp | 1765.00 | NIST | |
| Inp | 1765.00 | NIST | |
| Tboil | 610.94 | K | Joback Calculated Property |
| Tc | 831.33 | K | Joback Calculated Property |
| Tfus | 405.93 | K | Joback Calculated Property |
| Vc | 0.698 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [480.22; 579.46] | J/mol×K | [610.94; 831.33] |
|
| Cp,gas | 480.22 | J/mol×K | 610.94 | Joback Calculated Property |
| Cp,gas | 499.55 | J/mol×K | 647.67 | Joback Calculated Property |
| Cp,gas | 517.68 | J/mol×K | 684.40 | Joback Calculated Property |
| Cp,gas | 534.68 | J/mol×K | 721.13 | Joback Calculated Property |
| Cp,gas | 550.61 | J/mol×K | 757.87 | Joback Calculated Property |
| Cp,gas | 565.52 | J/mol×K | 794.60 | Joback Calculated Property |
| Cp,gas | 579.46 | J/mol×K | 831.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-n-Pentyl-1,2,3,4-tetrahydroquinoline.
Sources
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