- 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-Lutidene
- 3,4-Lutidine
- 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.
- Ip : 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).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3410 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| PAff | 957.30 | kJ/mol | NIST |
| BasG | 925.50 | kJ/mol | NIST |
| ΔcH°liquid | -4059.10 | kJ/mol | NIST |
| μ | 1.90 | debye | KDB |
| ΔfG° | 180.27 | kJ/mol | Relay (1.0-beta) Calculated Property |
| 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. Solubility Prediction | |
| log10WS | 0.36 | Estimated Solubility | |
| logPoct/wat | 1.698 | Crippen Calculated Property | |
| McVol | 95.710 | ml/mol | McGowan Calculated Property |
| Pc | [4123.93; 4200.00] | kPa |
|
| Pc | 4200.00 | kPa | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 9 Compiled value |
| Pc | 4123.93 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Inp | [161.12; 1040.00] |
|
|
| Inp | 986.20 | NIST | |
| Inp | 1000.00 | NIST | |
| 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 | 999.00 | NIST | |
| Inp | 1001.30 | NIST | |
| Ip | [1441.00; 1483.00] |
|
|
| Ip | 1469.00 | NIST | |
| Ip | Outlier 1441.00 | NIST | |
| Ip | 1455.00 | NIST | |
| Ip | 1473.00 | NIST | |
| Ip | 1483.00 | NIST | |
| Ip | 1470.00 | NIST | |
| Ip | 1444.00 | NIST | |
| Ip | 1466.00 | NIST | |
| Ip | 1468.00 | NIST | |
| Ip | 1468.00 | NIST | |
| Ip | 1469.00 | NIST | |
| Ip | 1471.00 | NIST | |
| Ip | 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 | [683.70; 683.80] | K |
|
| Tc | 683.70 | K | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 9 Compiled value |
| Tc | 683.80 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| 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; 262.15] | K |
|
| Tfus | 262.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 262.03 | K | KDB |
| Tfus | 260.65 | K | NIST |
| Tfus | 262.11 ± 0.05 | K | NIST |
| Ttriple | 262.70 ± 0.01 | K | NIST |
| Vc | [0.351; 0.357] | m3/kmol |
|
| Vc | 0.357 | m3/kmol | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 9 Compiled value |
| Vc | 0.351 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Zc | 0.2640000 | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 9 Compiled value |
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 | 46.60 | kJ/mol | 418.00 | NIST |
| ΔvapH | 44.20 | kJ/mol | 418.00 | NIST |
| ΔvapH | 41.70 | kJ/mol | 418.00 | NIST |
| ΔvapH | 39.00 | 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 Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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 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 | 1.13976e+02 | |||
| Coefficient B | -1.00446e+04 | |||
| Coefficient C | -1.45520e+01 | |||
| Coefficient D | 8.92937e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| 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 |
| Pvap | [86.98; 104.46] | kPa | [446.30; 453.50] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.42919e+01 | |||
| Coefficient B | -3.72666e+03 | |||
| Coefficient C | -6.70440e+01 | |||
| Reference | Coulson, Cox, et al., 1959, 2 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 446.30 | |||
| Temperature range, max. | 453.50 | |||
| Pvap | 86.98 | kPa | 446.30 | Calculated Property |
| Pvap | 88.80 | kPa | 447.10 | Calculated Property |
| Pvap | 90.65 | kPa | 447.90 | Calculated Property |
| Pvap | 92.53 | kPa | 448.70 | Calculated Property |
| Pvap | 94.44 | kPa | 449.50 | Calculated Property |
| Pvap | 96.38 | kPa | 450.30 | Calculated Property |
| Pvap | 98.35 | kPa | 451.10 | Calculated Property |
| Pvap | 100.35 | kPa | 451.90 | Calculated Property |
| Pvap | 102.39 | kPa | 452.70 | Calculated Property |
| Pvap | 104.46 | kPa | 453.50 | Calculated Property |
| Pvap | [86.98; 104.46] | kPa | [446.30; 453.50] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.42919e+01 | |||
| Coefficient B | -3.72666e+03 | |||
| Coefficient C | -6.70440e+01 | |||
| Reference | Coulson, Cox, et al., 1959 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 446.30 | |||
| Temperature range, max. | 453.50 | |||
| Pvap | 86.98 | kPa | 446.30 | Calculated Property |
| Pvap | 88.80 | kPa | 447.10 | Calculated Property |
| Pvap | 90.65 | kPa | 447.90 | Calculated Property |
| Pvap | 92.53 | kPa | 448.70 | Calculated Property |
| Pvap | 94.44 | kPa | 449.50 | Calculated Property |
| Pvap | 96.38 | kPa | 450.30 | Calculated Property |
| Pvap | 98.35 | kPa | 451.10 | Calculated Property |
| Pvap | 100.35 | kPa | 451.90 | Calculated Property |
| Pvap | 102.39 | kPa | 452.70 | Calculated Property |
| Pvap | 104.46 | kPa | 453.50 | Calculated Property |
Similar Compounds
Find more compounds similar to Pyridine, 3,4-dimethyl-.
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).
- IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 9 ChEDL chemicals 1.5.2, from Marsh, K. N.; Young, C. L.; Morton, D. W.; Ambrose, D.; Tsonopoulos, C. Vapor-Liquid Critical Properties of Elements and Compounds. 9. Organic Compounds Containing Nitrogen. J. Chem. Eng. Data 2006, 51, 305-314.
- 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, 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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