- InChI
- InChI=1S/C7H9N/c1-6-3-4-8-7(2)5-6/h3-5H,1-2H3
- InChI Key
- JYYNAJVZFGKDEQ-UHFFFAOYSA-N
- Formula
- C7H9N
- SMILES
- Cc1ccnc(C)c1
- Molecular Weight1
- 107.15
- CAS
- 108-47-4
- Other Names
-
- 2,4-Dimethylpyridine
- 2,4-Lutidene
- 2,4-Lutidine
- «alpha»,«gamma»-Dimethylpyridine
- ω : Acentric Factor.
- 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).
- μ : Dipole Moment (debye).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- ρl : Liquid Density (kg/m3).
- 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).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (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 |
|---|---|---|---|
| ω | 0.3397 | Relay (1.0) Calculated Property | |
| PAff | 962.90 | kJ/mol | NIST |
| BasG | 930.80 | kJ/mol | NIST |
| ΔcH°liquid | -4056.90 | kJ/mol | NIST |
| μ | 2.30 | debye | KDB |
| ΔfG° | 161.32 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 63.90 | kJ/mol | NIST |
| ΔfH°liquid | 16.10 | kJ/mol | NIST |
| ΔvapH° | [47.49; 47.78] | kJ/mol |
|
| ΔvapH° | 47.49 | kJ/mol | NIST |
| ΔvapH° | 47.50 | kJ/mol | NIST |
| ΔvapH° | 47.78 | kJ/mol | NIST |
| IE | 8.85 ± 0.03 | eV | NIST |
| log10WS | [0.38; 0.38] |
|
|
| log10WS | 0.38 | Aq. Solubility Prediction | |
| log10WS | 0.38 | Estimated Solubility | |
| logPoct/wat | 1.698 | Crippen Calculated Property | |
| McVol | 95.710 | ml/mol | McGowan Calculated Property |
| Pc | 4319.17 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [145.96; 945.00] |
|
|
| Inp | 918.70 | NIST | |
| Inp | 919.50 | NIST | |
| Inp | 911.00 | NIST | |
| Inp | 912.00 | NIST | |
| Inp | 922.00 | NIST | |
| Inp | 917.00 | NIST | |
| Inp | 912.00 | NIST | |
| Inp | 924.00 | NIST | |
| Inp | 945.00 | NIST | |
| Inp | 903.40 | NIST | |
| Inp | 932.00 | NIST | |
| Inp | 928.00 | NIST | |
| Inp | 918.00 | NIST | |
| Inp | 916.00 | NIST | |
| Inp | 903.90 | NIST | |
| Inp | 917.00 | NIST | |
| Inp | 916.00 | NIST | |
| Inp | 916.00 | NIST | |
| Inp | 932.00 | NIST | |
| Inp | 925.00 | NIST | |
| Inp | 930.00 | NIST | |
| Inp | 941.30 | NIST | |
| Inp | 945.00 | NIST | |
| Inp | 932.00 | NIST | |
| Inp | 933.00 | NIST | |
| Inp | 920.00 | NIST | |
| Inp | 908.00 | NIST | |
| Inp | Outlier 145.96 | NIST | |
| Inp | 918.70 | NIST | |
| Inp | 917.00 | NIST | |
| Inp | 932.00 | NIST | |
| Inp | 933.00 | NIST | |
| Inp | 930.00 | NIST | |
| I | [1317.00; 1387.00] |
|
|
| I | 1340.00 | NIST | |
| I | 1322.00 | NIST | |
| I | 1387.00 | NIST | |
| I | 1383.00 | NIST | |
| I | 1378.00 | NIST | |
| I | 1382.00 | NIST | |
| I | 1382.00 | NIST | |
| I | 1342.00 | NIST | |
| I | 1345.00 | NIST | |
| I | 1339.00 | NIST | |
| I | 1325.00 | NIST | |
| I | 1334.00 | NIST | |
| I | 1317.00 | NIST | |
| I | 1324.00 | NIST | |
| I | 1338.00 | NIST | |
| I | 1333.00 | NIST | |
| I | 1334.00 | NIST | |
| I | 1334.00 | NIST | |
| I | 1336.00 | NIST | |
| I | 1336.00 | NIST | |
| I | 1334.00 | NIST | |
| I | 1317.00 | NIST | |
| S°liquid | 248.50 | J/mol×K | NIST |
| Tboil | [428.65; 432.55] | K |
|
| Tboil | 431.60 | K | KDB |
| Tboil | 432.20 | K | NIST |
| Tboil | 431.60 | K | NIST |
| Tboil | 432.20 ± 0.20 | K | NIST |
| Tboil | 430.87 ± 0.08 | K | NIST |
| Tboil | 430.87 ± 0.07 | K | NIST |
| Tboil | 430.30 ± 0.30 | K | NIST |
| Tboil | 430.05 ± 1.50 | K | NIST |
| Tboil | 430.25 ± 0.10 | K | NIST |
| Tboil | 430.70 ± 0.30 | K | NIST |
| Tboil | 432.55 ± 0.30 | K | NIST |
| Tboil | 431.15 ± 2.50 | K | NIST |
| Tboil | Outlier 428.65 ± 2.00 | K | NIST |
| Tboil | 430.65 ± 1.50 | K | NIST |
| Tboil | 430.30 ± 0.30 | K | NIST |
| Tc | [647.00; 647.15] | K |
|
| Tc | 647.00 | K | KDB |
| Tc | 647.00 | K | NIST |
| Tc | 647.15 ± 1.50 | K | NIST |
| Tfus | [205.20; 209.41] | K |
|
| Tfus | 209.15 | K | KDB |
| Tfus | 209.41 | K | NIST |
| Tfus | 205.20 ± 1.00 | K | NIST |
| Tfus | 205.25 ± 0.50 | K | NIST |
| Tfus | 209.19 ± 0.03 | K | NIST |
| Ttriple | 209.35 ± 0.01 | K | NIST |
| Vc | 0.358 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | 184.76 | J/mol×K | 298.15 | NIST |
| ΔfusH | [8.82; 8.82] | kJ/mol | [209.40; 209.40] |
|
| ΔfusH | 8.82 | kJ/mol | 209.40 | NIST |
| ΔfusH | 8.82 | kJ/mol | 209.40 | NIST |
| ΔvapH | [37.00; 47.50] | kJ/mol | [312.50; 431.60] |
|
| ΔvapH | 47.50 | kJ/mol | 312.50 | NIST |
| ΔvapH | 46.50 | kJ/mol | 313.00 | NIST |
| ΔvapH | 45.50 | kJ/mol | 330.50 | NIST |
| ΔvapH | 44.60 | kJ/mol | 343.00 | NIST |
| ΔvapH | 47.10 | kJ/mol | 364.50 | NIST |
| ΔvapH | 43.90 | kJ/mol | 368.00 | NIST |
| ΔvapH | 43.50 | kJ/mol | 391.00 | NIST |
| ΔvapH | 44.80 | kJ/mol | 402.00 | NIST |
| ΔvapH | 42.30 | kJ/mol | 402.00 | NIST |
| ΔvapH | 39.80 | kJ/mol | 402.00 | NIST |
| ΔvapH | 37.00 | kJ/mol | 402.00 | NIST |
| ΔvapH | 38.53 | kJ/mol | 431.60 | NIST |
| ρl | 949.00 | kg/m3 | 273.00 | KDB |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [320.24; 458.16] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.47499e+01 | |||
| Coefficient B | -3.74747e+03 | |||
| Coefficient C | -6.11210e+01 | |||
| Temperature range, min. | 320.24 | |||
| Temperature range, max. | 458.16 | |||
| Pvap | 1.33 | kPa | 320.24 | Calculated Property |
| Pvap | 2.99 | kPa | 335.56 | Calculated Property |
| Pvap | 6.16 | kPa | 350.89 | Calculated Property |
| Pvap | 11.79 | kPa | 366.21 | Calculated Property |
| Pvap | 21.21 | kPa | 381.54 | Calculated Property |
| Pvap | 36.17 | kPa | 396.86 | Calculated Property |
| Pvap | 58.87 | kPa | 412.19 | Calculated Property |
| Pvap | 92.01 | kPa | 427.51 | Calculated Property |
| Pvap | 138.72 | kPa | 442.84 | Calculated Property |
| Pvap | 202.63 | kPa | 458.16 | Calculated Property |
| Pvap | [69.83; 119.63] | kPa | [418.00; 438.00] |
KDB Vapor Pressure Data
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 9.42387e-01 | |||
| Coefficient B | -4.91659e+03 | |||
| Coefficient C | 2.70817e+00 | |||
| Coefficient D | -7.32161e-06 | |||
| Temperature range, min. | 418.00 | |||
| Temperature range, max. | 438.00 | |||
| Pvap | 69.83 | kPa | 418.00 | Calculated Property |
| Pvap | 74.37 | kPa | 420.22 | Calculated Property |
| Pvap | 79.13 | kPa | 422.44 | Calculated Property |
| Pvap | 84.14 | kPa | 424.67 | Calculated Property |
| Pvap | 89.39 | kPa | 426.89 | Calculated Property |
| Pvap | 94.89 | kPa | 429.11 | Calculated Property |
| Pvap | 100.66 | kPa | 431.33 | Calculated Property |
| Pvap | 106.70 | kPa | 433.56 | Calculated Property |
| Pvap | 113.02 | kPa | 435.78 | Calculated Property |
| Pvap | 119.63 | kPa | 438.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Pyridine, 2,4-dimethyl-.
Sources
- KDB Vapor Pressure Data
- 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
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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