- InChI
- InChI=1S/C7H9N/c1-6-3-7(2)5-8-4-6/h3-5H,1-2H3
- InChI Key
- HWWYDZCSSYKIAD-UHFFFAOYSA-N
- Formula
- C7H9N
- SMILES
- Cc1cncc(C)c1
- Molecular Weight1
- 107.15
- CAS
- 591-22-0
- Other Names
-
- 3,5-Dimethylpyridine
- 3,5-LUTIDINE
- 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).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 955.40 | kJ/mol | NIST |
| BasG | 923.50 | kJ/mol | NIST |
| ΔcH°liquid | -4063.20 | kJ/mol | NIST |
| μ | 2.60 | debye | KDB |
| ΔfH°gas | [72.80; 72.81] | kJ/mol |
|
| ΔfH°gas | 72.81 | kJ/mol | KDB |
| ΔfH°gas | 72.80 | kJ/mol | NIST |
| ΔfH°liquid | 22.40 | kJ/mol | NIST |
| ΔvapH° | [48.50; 50.38] | kJ/mol |
|
| ΔvapH° | 49.49 | kJ/mol | NIST |
| ΔvapH° | 48.50 | kJ/mol | NIST |
| ΔvapH° | 48.70 | kJ/mol | NIST |
| ΔvapH° | 50.38 | kJ/mol | NIST |
| IE | 9.25 | eV | NIST |
| log10WS | [0.38; 0.38] |
|
|
| log10WS | 0.38 | Aq. Sol... | |
| log10WS | 0.38 | Estimat... | |
| logPoct/wat | 1.698 | Crippen Calculated Property | |
| McVol | 95.710 | ml/mol | McGowan Calculated Property |
| Inp | [155.01; 987.00] |
|
|
| Inp | 954.00 | NIST | |
| Inp | 952.00 | NIST | |
| Inp | 978.90 | NIST | |
| Inp | 980.50 | NIST | |
| Inp | 963.50 | NIST | |
| Inp | 974.00 | NIST | |
| Inp | 961.40 | NIST | |
| Inp | 966.00 | NIST | |
| Inp | 965.00 | NIST | |
| Inp | 957.00 | NIST | |
| Inp | 972.00 | NIST | |
| Inp | 957.70 | NIST | |
| Inp | 947.40 | NIST | |
| Inp | 963.00 | NIST | |
| Inp | 964.00 | NIST | |
| Inp | 963.00 | NIST | |
| Inp | 980.00 | NIST | |
| Inp | 970.00 | NIST | |
| Inp | 917.00 | NIST | |
| Inp | 987.00 | NIST | |
| Inp | 951.00 | NIST | |
| Inp | 951.00 | NIST | |
| Inp | Outlier 155.01 | NIST | |
| Inp | 917.00 | NIST | |
| Inp | 957.70 | NIST | |
| Inp | 980.00 | NIST | |
| I | [1390.00; 1419.00] |
|
|
| I | 1414.00 | NIST | |
| I | 1390.00 | NIST | |
| I | 1415.00 | NIST | |
| I | 1419.00 | NIST | |
| I | 1410.00 | NIST | |
| I | 1391.00 | NIST | |
| I | 1400.00 | NIST | |
| I | 1405.00 | NIST | |
| I | 1408.00 | NIST | |
| I | 1408.00 | NIST | |
| I | 1410.00 | NIST | |
| S°liquid | 241.72 | J/mol×K | NIST |
| Tboil | [442.70; 445.10] | K |
|
| Tboil | 445.00 | K | KDB |
| Tboil | 442.70 | K | NIST |
| Tboil | 444.80 | K | NIST |
| Tboil | 445.10 | K | NIST |
| Tboil | 444.60 ± 0.50 | K | NIST |
| Tc | [667.20; 667.25] | K |
|
| Tc | 667.20 | K | KDB |
| Tc | 667.20 | K | NIST |
| Tc | 667.25 ± 0.30 | K | NIST |
| Tc | 667.25 ± 1.00 | K | NIST |
| Tfus | [265.35; 266.85] | K |
|
| Tfus | 266.50 | K | KDB |
| Tfus | 265.35 | K | Aq. Sol... |
| Tfus | 266.82 | K | NIST |
| Tfus | 266.85 ± 0.30 | K | NIST |
| Tfus | 266.65 ± 0.02 | K | NIST |
| Ttriple | 266.81 ± 0.01 | K | NIST |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | 184.55 | J/mol×K | 298.15 | NIST |
| ΔfusH | [13.11; 13.11] | kJ/mol | [266.90; 266.90] |
|
| ΔfusH | 13.11 | kJ/mol | 266.90 | NIST |
| ΔfusH | 13.11 | kJ/mol | 266.90 | NIST |
| ΔvapH | [39.20; 49.60] | kJ/mol | [313.00; 445.10] |
|
| ΔvapH | 49.60 | kJ/mol | 313.00 | NIST |
| ΔvapH | 49.10 | kJ/mol | 315.50 | NIST |
| ΔvapH | 47.00 | kJ/mol | 340.00 | NIST |
| ΔvapH | 46.50 | kJ/mol | 343.00 | NIST |
| ΔvapH | 44.80 | kJ/mol | 368.00 | NIST |
| ΔvapH | 44.30 | kJ/mol | 409.50 | NIST |
| ΔvapH | 39.20 | kJ/mol | 411.00 | NIST |
| ΔvapH | 46.70 | kJ/mol | 411.00 | NIST |
| ΔvapH | 44.30 | kJ/mol | 411.00 | NIST |
| ΔvapH | 41.80 | kJ/mol | 411.00 | NIST |
| ΔvapH | 39.46 | kJ/mol | 445.10 | NIST |
| Pvap | [0.02; 4.69] | kPa | [263.15; 353.63] |
|
| Pvap | 0.02 | kPa | 263.15 | Isother... |
| Pvap | 0.04 | kPa | 273.15 | Isother... |
| Pvap | 0.04 | kPa | 273.50 | Isother... |
| Pvap | 0.08 | kPa | 283.15 | Isother... |
| Pvap | 0.09 | kPa | 283.45 | Isother... |
| Pvap | 0.17 | kPa | 293.15 | Isother... |
| Pvap | 0.17 | kPa | 293.47 | Isother... |
| Pvap | 0.33 | kPa | 303.15 | Isother... |
| Pvap | 0.33 | kPa | 303.54 | Isother... |
| Pvap | 0.60 | kPa | 313.15 | Isother... |
| Pvap | 0.61 | kPa | 313.56 | Isother... |
| Pvap | 1.05 | kPa | 323.15 | Isother... |
| Pvap | 1.08 | kPa | 323.59 | Isother... |
| Pvap | 1.77 | kPa | 333.15 | Isother... |
| Pvap | 1.82 | kPa | 333.66 | Isother... |
| Pvap | 2.90 | kPa | 343.15 | Isother... |
| Pvap | 2.97 | kPa | 343.62 | Isother... |
| Pvap | 4.60 | kPa | 353.15 | Isother... |
| Pvap | 4.69 | kPa | 353.63 | Isother... |
| ρl | 939.00 | kg/m3 | 298.00 | KDB |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [331.04; 469.89] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.49416e+01 | |||
| Coefficient B | -3.90039e+03 | |||
| Coefficient C | -6.48740e+01 | |||
| Temperature range, min. | 331.04 | |||
| Temperature range, max. | 469.89 | |||
| Pvap | 1.33 | kPa | 331.04 | Calculated Property |
| Pvap | 2.98 | kPa | 346.47 | Calculated Property |
| Pvap | 6.11 | kPa | 361.90 | Calculated Property |
| Pvap | 11.69 | kPa | 377.32 | Calculated Property |
| Pvap | 21.02 | kPa | 392.75 | Calculated Property |
| Pvap | 35.88 | kPa | 408.18 | Calculated Property |
| Pvap | 58.49 | kPa | 423.61 | Calculated Property |
| Pvap | 91.58 | kPa | 439.03 | Calculated Property |
| Pvap | 138.38 | kPa | 454.46 | Calculated Property |
| Pvap | 202.63 | kPa | 469.89 | Calculated Property |
| Pvap | [0.04; 266.72] | kPa | [273.15; 487.15] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 6.57116e+01 | |||
| Coefficient B | -7.85524e+03 | |||
| Coefficient C | -7.19996e+00 | |||
| Coefficient D | 2.34668e-06 | |||
| Temperature range, min. | 273.15 | |||
| Temperature range, max. | 487.15 | |||
| Pvap | 0.04 | kPa | 273.15 | Calculated Property |
| Pvap | 0.22 | kPa | 296.93 | Calculated Property |
| Pvap | 0.92 | kPa | 320.71 | Calculated Property |
| Pvap | 3.08 | kPa | 344.48 | Calculated Property |
| Pvap | 8.64 | kPa | 368.26 | Calculated Property |
| Pvap | 20.94 | kPa | 392.04 | Calculated Property |
| Pvap | 45.09 | kPa | 415.82 | Calculated Property |
| Pvap | 88.05 | kPa | 439.59 | Calculated Property |
| Pvap | 158.54 | kPa | 463.37 | Calculated Property |
| Pvap | 266.72 | kPa | 487.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Pyridine, 3,5-dimethyl-.
Mixtures
- Toluene + Pyridine, 3,5-dimethyl-
- Pyridine, 3,5-dimethyl- + Cyclohexane
- n-Hexane + Pyridine, 3,5-dimethyl-
- Pyridine, 3,5-dimethyl- + Heptane
- Octane + Pyridine, 3,5-dimethyl-
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Vapour pressures and excess functions of (3,5; 2,6)dimethylpyridine + n-hexane, n-heptane and n-octane measurement and prediction
- Isothermal vapour pressures and excess functions of 3,5- and 2,6-dimethylpyridine with toluene measurement and prediction
- Isothermal vapour pressures and thermodynamic excess properties of 3,5- and 2,6-dimethylpyridine with cyclohexane. Measurements and prediction
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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