- InChI
- InChI=1S/C7H9N/c1-6-3-4-8-5-7(6)2/h3-5H,1-2H3
- InChI Key
- NURQLCJSMXZBPC-UHFFFAOYSA-N
- Formula
- C7H9N
- SMILES
- Cc1ccncc1C
- Molecular Weight1
- 107.15
- CAS
- 583-58-4
- Other Names
-
- 3,4-Dimethylpyridine
- 3,4-LUTIDINE
- 3,4-Lutidene
- 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 | 957.30 | kJ/mol | NIST |
| BasG | 925.50 | kJ/mol | NIST |
| ΔcH°liquid | -4059.10 | kJ/mol | NIST |
| μ | 1.90 | debye | KDB |
| ΔfH°gas | [70.00; 70.05] | kJ/mol |
|
| ΔfH°gas | 70.05 | kJ/mol | KDB |
| ΔfH°gas | 70.00 | kJ/mol | NIST |
| ΔfH°liquid | 18.20 | kJ/mol | NIST |
| ΔvapH° | [50.54; 51.80] | kJ/mol |
|
| ΔvapH° | 50.54 | kJ/mol | NIST |
| ΔvapH° | 51.80 | kJ/mol | NIST |
| IE | [9.15; 9.30] | eV |
|
| IE | 9.30 | eV | NIST |
| IE | 9.15 | eV | NIST |
| log10WS | [0.36; 0.36] |
|
|
| log10WS | 0.36 | Aq. Sol... | |
| log10WS | 0.36 | Estimat... | |
| logPoct/wat | 1.698 | Crippen Calculated Property | |
| McVol | 95.710 | ml/mol | McGowan Calculated Property |
| Inp | [161.12; 1040.00] |
|
|
| Inp | 986.20 | NIST | |
| Inp | 982.80 | NIST | |
| Inp | 988.00 | NIST | |
| Inp | 992.00 | NIST | |
| Inp | 982.00 | NIST | |
| Inp | 1000.00 | NIST | |
| Inp | 1018.00 | NIST | |
| Inp | 1001.30 | NIST | |
| Inp | 989.00 | NIST | |
| Inp | 988.00 | NIST | |
| Inp | 988.00 | NIST | |
| Inp | 1003.00 | NIST | |
| Inp | 999.00 | NIST | |
| Inp | 999.00 | NIST | |
| Inp | 1040.00 | NIST | |
| Inp | Outlier 161.12 | NIST | |
| Inp | 986.20 | NIST | |
| Inp | 1000.00 | NIST | |
| Inp | 1001.30 | NIST | |
| Inp | 999.00 | NIST | |
| I | [1441.00; 1483.00] |
|
|
| I | 1469.00 | NIST | |
| I | Outlier 1441.00 | NIST | |
| I | 1455.00 | NIST | |
| I | 1473.00 | NIST | |
| I | 1483.00 | NIST | |
| I | 1470.00 | NIST | |
| I | 1444.00 | NIST | |
| I | 1466.00 | NIST | |
| I | 1468.00 | NIST | |
| I | 1468.00 | NIST | |
| I | 1469.00 | NIST | |
| I | 1471.00 | NIST | |
| I | 1466.00 | NIST | |
| S°liquid | 240.72 | J/mol×K | NIST |
| Tboil | [436.70; 452.30] | K |
|
| Tboil | 452.28 | K | KDB |
| Tboil | 436.70 | K | NIST |
| Tboil | 452.30 | K | NIST |
| Tc | [683.71; 683.80] | K |
|
| Tc | 683.80 | K | KDB |
| Tc | 683.80 | K | NIST |
| Tc | 683.71 ± 0.40 | K | NIST |
| Tc | 683.75 ± 1.00 | K | NIST |
| Tfus | [260.65; 262.11] | K |
|
| Tfus | 262.03 | K | KDB |
| Tfus | 260.65 | K | NIST |
| Tfus | 262.11 ± 0.05 | K | NIST |
| Ttriple | 262.70 ± 0.01 | K | NIST |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | [191.84; 196.00] | J/mol×K | [298.00; 298.15] |
|
| Cp,liquid | 196.00 | J/mol×K | 298.00 | NIST |
| Cp,liquid | 191.84 | J/mol×K | 298.15 | NIST |
| ΔfusH | [14.70; 14.70] | kJ/mol | [262.70; 262.70] |
|
| ΔfusH | 14.70 | kJ/mol | 262.70 | NIST |
| ΔfusH | 14.70 | kJ/mol | 262.70 | NIST |
| ΔvapH | [39.00; 48.80] | kJ/mol | [328.00; 452.30] |
|
| ΔvapH | 48.80 | kJ/mol | 328.00 | NIST |
| ΔvapH | 47.60 | kJ/mol | 343.00 | NIST |
| ΔvapH | 47.60 | kJ/mol | 355.00 | NIST |
| ΔvapH | 45.90 | kJ/mol | 368.00 | NIST |
| ΔvapH | 41.70 | kJ/mol | 418.00 | NIST |
| ΔvapH | 39.00 | kJ/mol | 418.00 | NIST |
| ΔvapH | 46.60 | kJ/mol | 418.00 | NIST |
| ΔvapH | 44.20 | kJ/mol | 418.00 | NIST |
| ΔvapH | 44.80 | kJ/mol | 419.50 | NIST |
| ΔvapH | 39.99 | kJ/mol | 452.30 | NIST |
| ρl | 954.00 | kg/m3 | 298.00 | KDB |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [336.80; 459.99] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.63197e+01 | |||
| Coefficient B | -4.32747e+03 | |||
| Coefficient C | -6.68750e+01 | |||
| Temperature range, min. | 336.80 | |||
| Temperature range, max. | 459.99 | |||
| Pvap | 1.33 | kPa | 336.80 | Calculated Property |
| Pvap | 2.89 | kPa | 350.49 | Calculated Property |
| Pvap | 5.83 | kPa | 364.18 | Calculated Property |
| Pvap | 11.07 | kPa | 377.86 | Calculated Property |
| Pvap | 19.91 | kPa | 391.55 | Calculated Property |
| Pvap | 34.14 | kPa | 405.24 | Calculated Property |
| Pvap | 56.13 | kPa | 418.93 | Calculated Property |
| Pvap | 88.91 | kPa | 432.61 | Calculated Property |
| Pvap | 136.25 | kPa | 446.30 | Calculated Property |
| Pvap | 202.67 | kPa | 459.99 | Calculated Property |
| Pvap | [0.03; 261.25] | kPa | [274.15; 494.15] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.13976e+02 | |||
| Coefficient B | -1.00446e+04 | |||
| Coefficient C | -1.45520e+01 | |||
| Coefficient D | 8.92937e-06 | |||
| Temperature range, min. | 274.15 | |||
| Temperature range, max. | 494.15 | |||
| Pvap | 0.03 | kPa | 274.15 | Calculated Property |
| Pvap | 0.17 | kPa | 298.59 | Calculated Property |
| Pvap | 0.77 | kPa | 323.04 | Calculated Property |
| Pvap | 2.74 | kPa | 347.48 | Calculated Property |
| Pvap | 7.97 | kPa | 371.93 | Calculated Property |
| Pvap | 19.73 | kPa | 396.37 | Calculated Property |
| Pvap | 43.02 | kPa | 420.82 | Calculated Property |
| Pvap | 84.73 | kPa | 445.26 | Calculated Property |
| Pvap | 153.78 | kPa | 469.71 | Calculated Property |
| Pvap | 261.25 | kPa | 494.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Pyridine, 3,4-dimethyl-.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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