- InChI
- InChI=1S/C7H9N/c1-2-7-4-3-5-8-6-7/h3-6H,2H2,1H3
- InChI Key
- MFEIKQPHQINPRI-UHFFFAOYSA-N
- Formula
- C7H9N
- SMILES
- CCc1cccnc1
- Molecular Weight1
- 107.16
- CAS
- 536-78-7
- Other Names
-
- 3-(C2H5)-Pyridine
- 3-ethylpyridine
- 5-Ethylpyridine
- BETA-LUTIDINE
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : 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).
- 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 | [0.3367; 0.3420] |
|
|
| ω | 0.3367 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| ω | 0.3420 | KDB | |
| PAff | 947.40 | kJ/mol | NIST |
| BasG | 915.50 | kJ/mol | NIST |
| ΔfG° | 183.04 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 88.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 49.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.40 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.644 | Crippen Calculated Property | |
| McVol | 95.710 | ml/mol | McGowan Calculated Property |
| Pc | [4000.00; 4000.11] | kPa |
|
| Pc | 4000.11 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Pc | 4000.00 | kPa | KDB |
| Inp | [918.00; 974.00] |
|
|
| Inp | 938.60 | NIST | |
| Inp | 938.60 | NIST | |
| Inp | 929.00 | NIST | |
| Inp | 968.00 | NIST | |
| Inp | 918.00 | NIST | |
| Inp | 957.00 | NIST | |
| Inp | 964.00 | NIST | |
| Inp | 974.00 | NIST | |
| Inp | 964.00 | NIST | |
| Inp | 937.10 | NIST | |
| Inp | 928.90 | NIST | |
| Inp | 962.00 | NIST | |
| Inp | 964.00 | NIST | |
| Inp | 959.00 | NIST | |
| Inp | 963.00 | NIST | |
| Inp | 959.00 | NIST | |
| Inp | 939.00 | NIST | |
| Inp | 935.00 | NIST | |
| Inp | 933.00 | NIST | |
| Inp | 921.00 | NIST | |
| Inp | 923.00 | NIST | |
| Inp | 939.00 | NIST | |
| Inp | 966.00 | NIST | |
| Inp | 937.00 | NIST | |
| Inp | 955.00 | NIST | |
| Inp | 932.00 | NIST | |
| Inp | 932.00 | NIST | |
| Inp | 964.00 | NIST | |
| Ip | [1365.00; 1413.00] |
|
|
| Ip | 1380.00 | NIST | |
| Ip | 1384.00 | NIST | |
| Ip | 1372.00 | NIST | |
| Ip | 1378.00 | NIST | |
| Ip | 1378.00 | NIST | |
| Ip | 1369.00 | NIST | |
| Ip | 1365.00 | NIST | |
| Ip | Outlier 1413.00 | NIST | |
| Ip | 1375.00 | NIST | |
| Ip | 1401.00 | NIST | |
| Ip | 1380.00 | NIST | |
| Ip | Outlier 1409.00 | NIST | |
| Ip | 1366.00 | NIST | |
| Ip | 1387.00 | NIST | |
| Ip | 1384.00 | NIST | |
| Ip | 1397.00 | NIST | |
| Ip | 1372.00 | NIST | |
| Ip | 1375.00 | NIST | |
| Ip | 1375.00 | NIST | |
| Ip | 1375.00 | NIST | |
| Ip | 1376.00 | NIST | |
| Ip | 1377.00 | NIST | |
| Ip | 1377.00 | NIST | |
| Ip | 1378.00 | NIST | |
| Tboil | [438.20; 439.15] | K |
|
| Tboil | 438.90 | K | KDB |
| Tboil | 438.20 | K | NIST |
| Tboil | 439.15 ± 0.50 | K | NIST |
| Tboil | 438.90 ± 0.50 | K | NIST |
| Tc | [651.00; 661.00] | K |
|
| Tc | 651.00 | K | Critical point measurements of four pyridines |
| Tc | 661.00 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tc | 661.00 | K | KDB |
| Tfus | [196.00; 196.30] | K |
|
| Tfus | 196.20 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 196.00 | K | KDB |
| Tfus | 196.30 ± 0.50 | K | NIST |
| Vc | 0.368 | 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 | 44.60 | kJ/mol | 353.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [327.12; 465.30] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.48958e+01 | |||
| Coefficient B | -3.85083e+03 | |||
| Coefficient C | -6.35120e+01 | |||
| Temperature range, min. | 327.12 | |||
| Temperature range, max. | 465.30 | |||
| Pvap | 1.33 | kPa | 327.12 | Calculated Property |
| Pvap | 2.98 | kPa | 342.47 | Calculated Property |
| Pvap | 6.12 | kPa | 357.83 | Calculated Property |
| Pvap | 11.71 | kPa | 373.18 | Calculated Property |
| Pvap | 21.07 | kPa | 388.53 | Calculated Property |
| Pvap | 35.95 | kPa | 403.89 | Calculated Property |
| Pvap | 58.59 | kPa | 419.24 | Calculated Property |
| Pvap | 91.69 | kPa | 434.59 | Calculated Property |
| Pvap | 138.48 | kPa | 449.95 | Calculated Property |
| Pvap | 202.66 | kPa | 465.30 | Calculated Property |
| Pvap | [2.49; 13.20] | kPa | [334.15; 373.15] |
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 | 1.37340e+02 | |||
| Coefficient B | -1.05512e+04 | |||
| Coefficient C | -1.83146e+01 | |||
| Coefficient D | 1.41840e-05 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 334.15 | |||
| Temperature range, max. | 373.15 | |||
| Pvap | 2.49 | kPa | 334.15 | Calculated Property |
| Pvap | 3.07 | kPa | 338.48 | Calculated Property |
| Pvap | 3.76 | kPa | 342.82 | Calculated Property |
| Pvap | 4.57 | kPa | 347.15 | Calculated Property |
| Pvap | 5.53 | kPa | 351.48 | Calculated Property |
| Pvap | 6.65 | kPa | 355.82 | Calculated Property |
| Pvap | 7.96 | kPa | 360.15 | Calculated Property |
| Pvap | 9.47 | kPa | 364.48 | Calculated Property |
| Pvap | 11.21 | kPa | 368.82 | Calculated Property |
| Pvap | 13.20 | kPa | 373.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Pyridine, 3-ethyl-.
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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