- InChI
- InChI=1S/C8H11N/c1-3-8-5-4-7(2)9-6-8/h4-6H,3H2,1-2H3
- InChI Key
- NTSLROIKFLNUIJ-UHFFFAOYSA-N
- Formula
- C8H11N
- SMILES
- CCc1ccc(C)nc1
- Molecular Weight1
- 121.18
- CAS
- 104-90-5
- Other Names
-
- 2,5-Aldehydine
- 2-Methyl-5-ethylpyridine
- 2-Picoline, 5-ethyl-
- 3-ethyl-6-methylpyridine
- 5-Ethyl-«alpha»-picoline
- 5-ethyl-.alpha.-picoline
- 5-ethyl-2-methylpyridine
- 5-ethyl-2-picoline
- 6-Methyl-3-ethylpyridine
- Aldehydkollidin
- Collidine, aldehydecollidine
- MEP
- NSC 1984
- Pyridine, 2-methyl-5-ethyl
- UN 2300
- aldehydecollidine
- aldehydine
- pyridine, 3-ethyl-6-methyl-
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- 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).
- NFPA Fire : NFPA Fire Rating.
- NFPA Health : NFPA Health Rating.
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (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 | [0.3930; 0.4267] |
|
|
| ω | 0.4267 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| ω | 0.3930 | KDB | |
| ΔcH°liquid | -4708.70 ± 1.90 | kJ/mol | NIST |
| ΔfG° | 166.19 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 34.90 ± 2.00 | kJ/mol | NIST |
| ΔfH°liquid | -11.40 ± 1.90 | kJ/mol | NIST |
| ΔvapH° | [46.30; 46.30] | kJ/mol |
|
| ΔvapH° | 46.30 ± 0.40 | kJ/mol | NIST |
| ΔvapH° | 46.30 | kJ/mol | NIST |
| IE | 8.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.952 | Crippen Calculated Property | |
| McVol | 109.800 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 2 | KDB | |
| NFPA Health | 3 | KDB | |
| Pc | [3046.00; 3343.72] | kPa |
|
| Pc | 3343.72 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Pc | 3046.00 | kPa | KDB |
| Inp | [982.00; 1038.00] |
|
|
| Inp | 1038.00 | NIST | |
| Inp | 1000.00 | NIST | |
| Inp | 1019.00 | NIST | |
| Inp | 1023.00 | NIST | |
| Inp | 982.00 | NIST | |
| Inp | 986.00 | NIST | |
| Inp | 1029.00 | NIST | |
| Inp | 1038.00 | NIST | |
| Inp | 1000.00 | NIST | |
| Ip | [1407.00; 1413.00] |
|
|
| Ip | 1408.00 | NIST | |
| Ip | 1408.00 | NIST | |
| Ip | 1409.00 | NIST | |
| Ip | 1413.00 | NIST | |
| Ip | 1407.00 | NIST | |
| Ip | 1408.00 | NIST | |
| Ip | 1411.00 | NIST | |
| Tboil | [449.15; 451.50] | K |
|
| Tboil | 451.50 | K | KDB |
| Tboil | 451.50 | K | NIST |
| Tboil | 451.35 | K | NIST |
| Tboil | 449.15 ± 2.00 | K | NIST |
| Tc | [656.00; 662.00] | K |
|
| Tc | 656.00 | K | Critical point measurements of four pyridines |
| Tc | 662.00 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tc | 662.00 | K | KDB |
| Tfus | [202.15; 203.00] | K |
|
| Tfus | 202.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 203.00 | K | KDB |
| Tfus | 202.85 | K | NIST |
| Vc | 0.427 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [45.40; 51.60] | kJ/mol | [264.50; 399.50] |
|
| ΔvapH | 51.60 | kJ/mol | 264.50 | NIST |
| ΔvapH | 45.40 | kJ/mol | 399.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [336.16; 479.80] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.47377e+01 | |||
| Coefficient B | -3.89439e+03 | |||
| Coefficient C | -6.66530e+01 | |||
| Temperature range, min. | 336.16 | |||
| Temperature range, max. | 479.80 | |||
| Pvap | 1.33 | kPa | 336.16 | Calculated Property |
| Pvap | 2.99 | kPa | 352.12 | Calculated Property |
| Pvap | 6.16 | kPa | 368.08 | Calculated Property |
| Pvap | 11.79 | kPa | 384.04 | Calculated Property |
| Pvap | 21.22 | kPa | 400.00 | Calculated Property |
| Pvap | 36.19 | kPa | 415.96 | Calculated Property |
| Pvap | 58.90 | kPa | 431.92 | Calculated Property |
| Pvap | 92.04 | kPa | 447.88 | Calculated Property |
| Pvap | 138.76 | kPa | 463.84 | Calculated Property |
| Pvap | 202.65 | kPa | 479.80 | Calculated Property |
| Pvap | [0.75; 94.93] | kPa | [325.15; 450.15] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 4.53580e+02 | |||
| Coefficient B | -2.51131e+04 | |||
| Coefficient C | -6.60315e+01 | |||
| Coefficient D | 5.02700e-05 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 325.15 | |||
| Temperature range, max. | 450.15 | |||
| Pvap | 0.75 | kPa | 325.15 | Calculated Property |
| Pvap | 1.79 | kPa | 339.04 | Calculated Property |
| Pvap | 3.77 | kPa | 352.93 | Calculated Property |
| Pvap | 7.20 | kPa | 366.82 | Calculated Property |
| Pvap | 12.68 | kPa | 380.71 | Calculated Property |
| Pvap | 20.85 | kPa | 394.59 | Calculated Property |
| Pvap | 32.39 | kPa | 408.48 | Calculated Property |
| Pvap | 48.02 | kPa | 422.37 | Calculated Property |
| Pvap | 68.56 | kPa | 436.26 | Calculated Property |
| Pvap | 94.93 | kPa | 450.15 | Calculated Property |
| Pvap | [0.75; 93.97] | kPa | [325.10; 449.81] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.09457e+01 | |||
| Coefficient B | -1.85569e+03 | |||
| Coefficient C | -1.59980e+02 | |||
| Reference | Frolov, Loginova, et al., 1961 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 325.10 | |||
| Temperature range, max. | 449.81 | |||
| Pvap | 0.75 | kPa | 325.10 | Calculated Property |
| Pvap | 1.78 | kPa | 338.96 | Calculated Property |
| Pvap | 3.75 | kPa | 352.81 | Calculated Property |
| Pvap | 7.15 | kPa | 366.67 | Calculated Property |
| Pvap | 12.57 | kPa | 380.53 | Calculated Property |
| Pvap | 20.68 | kPa | 394.38 | Calculated Property |
| Pvap | 32.16 | kPa | 408.24 | Calculated Property |
| Pvap | 47.75 | kPa | 422.10 | Calculated Property |
| Pvap | 68.13 | kPa | 435.95 | Calculated Property |
| Pvap | 93.97 | kPa | 449.81 | Calculated Property |
Similar Compounds
Find more compounds similar to Pyridine, 5-ethyl-2-methyl-.
Sources
- KDB Vapor Pressure Data
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
- 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
- Critical point measurements of four pyridines
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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