- InChI
- InChI=1S/C7H9N/c1-6-3-4-7(2)8-5-6/h3-5H,1-2H3
- InChI Key
- XWKFPIODWVPXLX-UHFFFAOYSA-N
- Formula
- C7H9N
- SMILES
- Cc1ccc(C)nc1
- Molecular Weight1
- 107.16
- CAS
- 589-93-5
- Other Names
-
- 2,5-Lutidine
- 5-methyl-2-methylpyridine
- Pyridine, 2,5-dimethyl-
- 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.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3501 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| PAff | 958.80 | kJ/mol | NIST |
| BasG | 926.90 | kJ/mol | NIST |
| ΔcH°liquid | -4059.40 | kJ/mol | NIST |
| μ | 2.20 | debye | KDB |
| ΔfG° | 166.21 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | [66.40; 66.44] | kJ/mol |
|
| ΔfH°gas | 66.44 | kJ/mol | KDB |
| ΔfH°gas | 66.40 | kJ/mol | NIST |
| ΔfH°liquid | 18.60 | kJ/mol | NIST |
| ΔvapH° | 47.82 | kJ/mol | NIST |
| IE | 8.80 ± 0.05 | eV | NIST |
| log10WS | 0.40 | Aq. Solubility Prediction | |
| logPoct/wat | 1.698 | Crippen Calculated Property | |
| McVol | 95.710 | ml/mol | McGowan Calculated Property |
| Pc | [3850.00; 3874.67] | kPa |
|
| Pc | 3850.00 | kPa | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 9 Compiled value |
| Pc | 3874.67 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Inp | [903.20; 946.00] |
|
|
| Inp | 919.10 | NIST | |
| Inp | 920.00 | NIST | |
| Inp | 921.00 | NIST | |
| Inp | 917.00 | NIST | |
| Inp | 912.00 | NIST | |
| Inp | 926.00 | NIST | |
| Inp | 913.00 | NIST | |
| Inp | 911.00 | NIST | |
| Inp | 912.00 | NIST | |
| Inp | 912.00 | NIST | |
| Inp | 913.00 | NIST | |
| Inp | Outlier 946.00 | NIST | |
| Inp | 903.20 | NIST | |
| Inp | 930.00 | NIST | |
| Inp | 919.00 | NIST | |
| Inp | 915.00 | NIST | |
| Inp | 909.20 | NIST | |
| Inp | 917.00 | NIST | |
| Inp | 916.00 | NIST | |
| Inp | 916.00 | NIST | |
| Inp | 928.00 | NIST | |
| Inp | 926.00 | NIST | |
| Inp | 936.00 | NIST | |
| Inp | 928.00 | NIST | |
| Inp | 909.20 | NIST | |
| Inp | 919.10 | NIST | |
| Inp | 926.00 | NIST | |
| Inp | 913.00 | NIST | |
| Inp | 915.00 | NIST | |
| Inp | 936.00 | NIST | |
| Ip | [1325.00; 1415.00] |
|
|
| Ip | 1330.00 | NIST | |
| Ip | 1371.00 | NIST | |
| Ip | 1371.00 | NIST | |
| Ip | 1370.00 | NIST | |
| Ip | 1395.00 | NIST | |
| Ip | 1372.00 | NIST | |
| Ip | 1373.00 | NIST | |
| Ip | 1415.00 | NIST | |
| Ip | 1329.00 | NIST | |
| Ip | 1332.00 | NIST | |
| Ip | 1335.00 | NIST | |
| Ip | 1330.00 | NIST | |
| Ip | 1325.00 | NIST | |
| Ip | 1412.00 | NIST | |
| Ip | 1326.00 | NIST | |
| Ip | 1329.00 | NIST | |
| Ip | 1325.00 | NIST | |
| S°liquid | 248.81 | J/mol×K | NIST |
| Tboil | [426.25; 431.20] | K |
|
| Tboil | 430.16 | K | KDB |
| Tboil | 431.20 | K | NIST |
| Tboil | 429.90 ± 0.30 | K | NIST |
| Tboil | 426.65 ± 3.00 | K | NIST |
| Tboil | 429.15 ± 2.00 | K | NIST |
| Tboil | 426.25 ± 1.50 | K | NIST |
| Tc | [644.15; 644.30] | K |
|
| Tc | 644.30 | K | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 9 Compiled value |
| Tc | 644.20 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tc | 644.20 | K | KDB |
| Tc | 644.16 ± 0.30 | K | NIST |
| Tc | 644.15 ± 1.00 | K | NIST |
| Tfus | [257.00; 259.07] | K |
|
| Tfus | 257.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 257.00 | K | KDB |
| Tfus | 259.07 | K | NIST |
| Tfus | 257.15 ± 0.50 | K | NIST |
| Tfus | 257.61 ± 0.03 | K | NIST |
| Ttriple | 259.07 ± 0.01 | K | NIST |
| Vc | [0.357; 0.359] | m3/kmol |
|
| Vc | 0.357 | m3/kmol | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 9 Compiled value |
| Vc | 0.359 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Zc | 0.2570000 | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 9 Compiled value |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | 184.70 | J/mol×K | 298.15 | NIST |
| ΔfusH | [14.64; 14.64] | kJ/mol | [259.10; 259.10] |
|
| ΔfusH | 14.64 | kJ/mol | 259.10 | NIST |
| ΔfusH | 14.64 | kJ/mol | 259.10 | NIST |
| ΔvapH | [36.50; 44.40] | kJ/mol | [394.50; 400.50] |
|
| ΔvapH | 42.80 | kJ/mol | 394.50 | NIST |
| ΔvapH | 44.40 | kJ/mol | 400.50 | NIST |
| ΔvapH | 41.90 | kJ/mol | 400.50 | NIST |
| ΔvapH | 39.40 | kJ/mol | 400.50 | NIST |
| ΔvapH | 36.50 | kJ/mol | 400.50 | NIST |
| ρl | 938.00 | kg/m3 | 273.00 | KDB |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [319.12; 458.84] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.46024e+01 | |||
| Coefficient B | -3.69877e+03 | |||
| Coefficient C | -6.07320e+01 | |||
| Temperature range, min. | 319.12 | |||
| Temperature range, max. | 458.84 | |||
| Pvap | 1.33 | kPa | 319.12 | Calculated Property |
| Pvap | 3.00 | kPa | 334.64 | Calculated Property |
| Pvap | 6.19 | kPa | 350.17 | Calculated Property |
| Pvap | 11.87 | kPa | 365.69 | Calculated Property |
| Pvap | 21.35 | kPa | 381.22 | Calculated Property |
| Pvap | 36.40 | kPa | 396.74 | Calculated Property |
| Pvap | 59.18 | kPa | 412.27 | Calculated Property |
| Pvap | 92.35 | kPa | 427.79 | Calculated Property |
| Pvap | 139.00 | kPa | 443.32 | Calculated Property |
| Pvap | 202.66 | kPa | 458.84 | Calculated Property |
| Pvap | [6.77; 114.95] | kPa | [350.00; 435.00] |
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 | 9.69764e+01 | |||
| Coefficient B | -8.86176e+03 | |||
| Coefficient C | -1.20654e+01 | |||
| Coefficient D | 7.61858e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 350.00 | |||
| Temperature range, max. | 435.00 | |||
| Pvap | 6.77 | kPa | 350.00 | Calculated Property |
| Pvap | 10.04 | kPa | 359.44 | Calculated Property |
| Pvap | 14.55 | kPa | 368.89 | Calculated Property |
| Pvap | 20.62 | kPa | 378.33 | Calculated Property |
| Pvap | 28.62 | kPa | 387.78 | Calculated Property |
| Pvap | 39.00 | kPa | 397.22 | Calculated Property |
| Pvap | 52.25 | kPa | 406.67 | Calculated Property |
| Pvap | 68.91 | kPa | 416.11 | Calculated Property |
| Pvap | 89.59 | kPa | 425.56 | Calculated Property |
| Pvap | 114.95 | kPa | 435.00 | Calculated Property |
| Pvap | [9.59; 102.43] | kPa | [358.30; 430.50] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.44127e+01 | |||
| Coefficient B | -3.62443e+03 | |||
| Coefficient C | -6.00390e+01 | |||
| Reference | Herington and Martin, 1953, 2 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 358.30 | |||
| Temperature range, max. | 430.50 | |||
| Pvap | 9.59 | kPa | 358.30 | Calculated Property |
| Pvap | 13.19 | kPa | 366.32 | Calculated Property |
| Pvap | 17.83 | kPa | 374.34 | Calculated Property |
| Pvap | 23.76 | kPa | 382.37 | Calculated Property |
| Pvap | 31.23 | kPa | 390.39 | Calculated Property |
| Pvap | 40.50 | kPa | 398.41 | Calculated Property |
| Pvap | 51.90 | kPa | 406.43 | Calculated Property |
| Pvap | 65.78 | kPa | 414.46 | Calculated Property |
| Pvap | 82.48 | kPa | 422.48 | Calculated Property |
| Pvap | 102.43 | kPa | 430.50 | Calculated Property |
| Pvap | [9.59; 102.43] | kPa | [358.30; 430.50] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.44127e+01 | |||
| Coefficient B | -3.62443e+03 | |||
| Coefficient C | -6.00390e+01 | |||
| Reference | Herington and Martin, 1953 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 358.30 | |||
| Temperature range, max. | 430.50 | |||
| Pvap | 9.59 | kPa | 358.30 | Calculated Property |
| Pvap | 13.19 | kPa | 366.32 | Calculated Property |
| Pvap | 17.83 | kPa | 374.34 | Calculated Property |
| Pvap | 23.76 | kPa | 382.37 | Calculated Property |
| Pvap | 31.23 | kPa | 390.39 | Calculated Property |
| Pvap | 40.50 | kPa | 398.41 | Calculated Property |
| Pvap | 51.90 | kPa | 406.43 | Calculated Property |
| Pvap | 65.78 | kPa | 414.46 | Calculated Property |
| Pvap | 82.48 | kPa | 422.48 | Calculated Property |
| Pvap | 102.43 | kPa | 430.50 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-DIMETHYLPYRIDINE.
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
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
Take the time to validate and double check the source of the data.
Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.