- 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
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔvapH° | 50.62 | kJ/mol | NIST |
| log10WS | -2.66 | Crippen Calculated Property | |
| logPoct/wat | 2.007 | Crippen Calculated Property | |
| McVol | 109.800 | ml/mol | McGowan 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 | 1366.00 | NIST | |
| I | 1401.00 | NIST | |
| Tboil | 444.70 | K | NIST |
| Tc | 654.50 | K | NIST |
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 Yaw...
|
| 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
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.