- InChI
- InChI=1S/C10H13N/c1-8-4-5-10-9(7-8)3-2-6-11-10/h4-5,7,11H,2-3,6H2,1H3
- InChI Key
- XOKMRXSMOHCNIX-UHFFFAOYSA-N
- Formula
- C10H13N
- SMILES
- Cc1ccc2c(c1)CCCN2
- Molecular Weight1
- 147.22
- Other Names
-
- 1,2,3,4-Tetrahydro-6-methylquinoline
- 6-Methyl-1,2,3,4-tetrahydroquinoline
- Civettal
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 41.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.15 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.353 | Crippen Calculated Property | |
| McVol | 127.120 | ml/mol | McGowan Calculated Property |
| Tboil | 542.94 | K | Relay (1.0) Calculated Property |
| Tfus | 308.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [151.97; 416.71] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -5.58900e+01 | |||
| Coefficient B | 9.10320e-01 | |||
| Coefficient C | -5.85920e-04 | |||
| Coefficient D | 1.48200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 151.97 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 199.39 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 241.21 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 277.91 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 309.95 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 337.80 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 361.94 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 382.82 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 400.92 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 416.71 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Quinoline, 1,2,3,4-tetrahydro-6-methyl-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- 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
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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