- InChI
- InChI=1S/C7H10S/c1-2-4-7-5-3-6-8-7/h3,5-6H,2,4H2,1H3
- InChI Key
- BTXIJTYYMLCUHI-UHFFFAOYSA-N
- Formula
- C7H10S
- SMILES
- CCCc1cccs1
- Molecular Weight1
- 126.22
- CAS
- 1551-27-5
- Other Names
-
- 2-Propylthiophene
- 2-n-Propylthiophene
- isopropylthiophene
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔvapH° | 43.70 ± 1.00 | kJ/mol | NIST |
| IE | 8.60 ± 0.20 | eV | NIST |
| log10WS | -2.45 | Crippen Calculated Property | |
| logPoct/wat | 2.701 | Crippen Calculated Property | |
| McVol | 106.380 | ml/mol | McGowan Calculated Property |
| Inp | [937.00; 976.00] |
|
|
| Inp | 960.00 | NIST | |
| Inp | 955.00 | NIST | |
| Inp | 960.00 | NIST | |
| Inp | 955.00 | NIST | |
| Inp | 969.00 | NIST | |
| Inp | 961.00 | NIST | |
| Inp | 951.00 | NIST | |
| Inp | 937.00 | NIST | |
| Inp | 941.00 | NIST | |
| Inp | 939.00 | NIST | |
| Inp | 966.00 | NIST | |
| Inp | 937.00 | NIST | |
| Inp | 937.00 | NIST | |
| Inp | 937.00 | NIST | |
| Inp | 937.00 | NIST | |
| Inp | Outlier 976.00 | NIST | |
| Inp | 951.00 | NIST | |
| Inp | 951.00 | NIST | |
| Inp | 960.00 | NIST | |
| I | [1238.00; 1259.00] |
|
|
| I | 1246.00 | NIST | |
| I | 1238.00 | NIST | |
| I | 1239.00 | NIST | |
| I | 1259.00 | NIST | |
| I | 1259.00 | NIST | |
| Tboil | 431.20 | K | NIST |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 46.00 | kJ/mol | 273.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [318.51; 459.22] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.43889e+01 | |||
| Coefficient B | -3.58516e+03 | |||
| Coefficient C | -6.42650e+01 | |||
| Temperature range, min. | 318.51 | |||
| Temperature range, max. | 459.22 | |||
| Pvap | 1.33 | kPa | 318.51 | Calculated Property |
| Pvap | 3.02 | kPa | 334.14 | Calculated Property |
| Pvap | 6.25 | kPa | 349.78 | Calculated Property |
| Pvap | 11.99 | kPa | 365.41 | Calculated Property |
| Pvap | 21.57 | kPa | 381.05 | Calculated Property |
| Pvap | 36.74 | kPa | 396.68 | Calculated Property |
| Pvap | 59.63 | kPa | 412.32 | Calculated Property |
| Pvap | 92.86 | kPa | 427.95 | Calculated Property |
| Pvap | 139.40 | kPa | 443.59 | Calculated Property |
| Pvap | 202.65 | kPa | 459.22 | Calculated Property |
Similar Compounds
Find more compounds similar to Thiophene, 2-propyl-.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.