- InChI
- InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3
- InChI Key
- MFFMQGGZCLEMCI-UHFFFAOYSA-N
- Formula
- C6H9N
- SMILES
- Cc1c[nH]c(C)c1
- Molecular Weight1
- 95.14
- CAS
- 625-82-1
- Other Names
-
- 2,4-Dimethyl-1H-pyrrole
- 2,4-Dimethylpyrrole
- Pyrrole, 2,4-dimethyl-
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- ΔfusH : Enthalpy of fusion 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).
- Inp : Non-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.
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 |
|---|---|---|---|
| IE | 7.54 ± 0.02 | eV | NIST |
| log10WS | -1.64 | Crippen Calculated Property | |
| logPoct/wat | 1.150 | Crippen Calculated Property | |
| McVol | 85.920 | ml/mol | McGowan Calculated Property |
| Inp | [842.00; 842.00] |
|
|
| Inp | 842.00 | NIST | |
| Inp | 842.00 | NIST | |
| Inp | 842.00 | NIST | |
| S°liquid | 222.01 | J/mol×K | NIST |
| Tboil | [438.45; 438.45] | K |
|
| Tboil | 438.45 ± 0.30 | K | NIST |
| Tboil | 438.45 ± 0.50 | K | NIST |
| Tc | 653.00 | K | Thermod... |
| Tfus | 268.44 | K | NIST |
| Ttriple | 268.44 ± 0.01 | K | NIST |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | 192.19 | J/mol×K | 298.15 | NIST |
| ΔfusH | 9.60 | kJ/mol | 268.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [330.42; 464.43] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.53071e+01 | |||
| Coefficient B | -4.00465e+03 | |||
| Coefficient C | -6.37900e+01 | |||
| Temperature range, min. | 330.42 | |||
| Temperature range, max. | 464.43 | |||
| Pvap | 1.33 | kPa | 330.42 | Calculated Property |
| Pvap | 2.95 | kPa | 345.31 | Calculated Property |
| Pvap | 6.03 | kPa | 360.20 | Calculated Property |
| Pvap | 11.51 | kPa | 375.09 | Calculated Property |
| Pvap | 20.70 | kPa | 389.98 | Calculated Property |
| Pvap | 35.37 | kPa | 404.87 | Calculated Property |
| Pvap | 57.81 | kPa | 419.76 | Calculated Property |
| Pvap | 90.81 | kPa | 434.65 | Calculated Property |
| Pvap | 137.77 | kPa | 449.54 | Calculated Property |
| Pvap | 202.64 | kPa | 464.43 | Calculated Property |
Similar Compounds
Find more compounds similar to 1H-Pyrrole, 2,4-dimethyl-.
Sources
- Crippen Method
- Crippen Method
- Thermodynamic properties of pyrrole, 1-methylpyrrole, 2,4-dimethylpyrrole, and 2,5-dimethylpyrrole: Experimental and computational results
- 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.