- InChI
- InChI=1S/C8H11N/c1-6-4-5-7(2)9-8(6)3/h4-5H,1-3H3
- InChI Key
- UTBIMNXEDGNJFE-UHFFFAOYSA-N
- Formula
- C8H11N
- SMILES
- Cc1ccc(C)c(C)n1
- Molecular Weight1
- 121.18
- CAS
- 1462-84-6
- Other Names
-
- 2,3,6-Collidine
- 2,3,6-Trimethylpyridine
- ω : Acentric Factor.
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (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).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3714 | Relay (1.0) Calculated Property | |
| ΔfH°gas | 29.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 50.62 | kJ/mol | NIST |
| IE | 8.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.007 | Crippen Calculated Property | |
| McVol | 109.800 | ml/mol | McGowan Calculated Property |
| Pc | 3824.22 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [161.86; 1017.00] |
|
|
| Inp | 1000.50 | NIST | |
| Inp | 1000.50 | NIST | |
| Inp | 1002.00 | NIST | |
| Inp | 1005.00 | NIST | |
| Inp | 1017.00 | NIST | |
| Inp | 1009.00 | NIST | |
| Inp | 1003.00 | NIST | |
| Inp | 989.40 | NIST | |
| Inp | Outlier 161.86 | NIST | |
| Inp | 1009.00 | NIST | |
| Inp | 989.40 | NIST | |
| I | [1366.00; 1401.00] |
|
|
| I | 1401.00 | NIST | |
| I | 1366.00 | NIST | |
| I | 1401.00 | NIST | |
| I | 1366.00 | NIST | |
| Tboil | 444.70 | K | NIST |
| Tc | 654.50 | K | NIST |
| Tfus | 266.10 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | 220.00 | J/mol×K | 300.60 | NIST |
| ΔvapH | [39.95; 48.50] | kJ/mol | [328.00; 444.70] |
|
| ΔvapH | 48.50 | kJ/mol | 328.00 | NIST |
| ΔvapH | 47.50 | kJ/mol | 343.00 | NIST |
| ΔvapH | 45.70 | kJ/mol | 368.00 | NIST |
| ΔvapH | 39.95 | kJ/mol | 444.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [330.80; 485.25] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.39642e+01 | |||
| Coefficient B | -3.63811e+03 | |||
| Coefficient C | -6.47900e+01 | |||
| Temperature range, min. | 330.80 | |||
| Temperature range, max. | 485.25 | |||
| Pvap | 1.33 | kPa | 330.80 | Calculated Property |
| Pvap | 3.05 | kPa | 347.96 | Calculated Property |
| Pvap | 6.36 | kPa | 365.12 | Calculated Property |
| Pvap | 12.25 | kPa | 382.28 | Calculated Property |
| Pvap | 22.04 | kPa | 399.44 | Calculated Property |
| Pvap | 37.46 | kPa | 416.61 | Calculated Property |
| Pvap | 60.60 | kPa | 433.77 | Calculated Property |
| Pvap | 93.92 | kPa | 450.93 | Calculated Property |
| Pvap | 140.24 | kPa | 468.09 | Calculated Property |
| Pvap | 202.66 | kPa | 485.25 | Calculated Property |
Similar Compounds
Find more compounds similar to Pyridine, 2,3,6-trimethyl-.
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
- The Yaws Handbook of Vapor Pressure
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