- InChI
- InChI=1S/C8H12S/c1-2-3-5-8-6-4-7-9-8/h4,6-7H,2-3,5H2,1H3
- InChI Key
- MNDZHERKKXUTOE-UHFFFAOYSA-N
- Formula
- C8H12S
- SMILES
- CCCCc1cccs1
- Molecular Weight1
- 140.25
- CAS
- 1455-20-5
- Other Names
-
- 2-Butylthiophene
- 2-n-Butylthiophene
- 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.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| IE | 8.50 ± 0.20 | eV | NIST |
| log10WS | -2.87 | Crippen Calculated Property | |
| logPoct/wat | 3.091 | Crippen Calculated Property | |
| McVol | 120.470 | ml/mol | McGowan Calculated Property |
| Inp | [1040.00; 1072.00] |
|
|
| Inp | 1072.00 | NIST | |
| Inp | 1065.00 | NIST | |
| Inp | 1052.00 | NIST | |
| Inp | 1041.00 | NIST | |
| Inp | 1069.00 | NIST | |
| Inp | 1040.00 | NIST | |
| Inp | 1041.00 | NIST | |
| Inp | 1040.00 | NIST | |
| Inp | 1041.00 | NIST | |
| Inp | 1045.00 | NIST | |
| Inp | 1052.00 | NIST | |
| Inp | 1072.00 | NIST | |
| I | [1336.00; 1353.00] |
|
|
| I | 1351.00 | NIST | |
| I | 1336.00 | NIST | |
| I | 1339.00 | NIST | |
| I | 1353.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [342.72; 482.00] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.52375e+01 | |||
| Coefficient B | -4.11388e+03 | |||
| Coefficient C | -6.75430e+01 | |||
| Temperature range, min. | 342.72 | |||
| Temperature range, max. | 482.00 | |||
| Pvap | 1.33 | kPa | 342.72 | Calculated Property |
| Pvap | 2.96 | kPa | 358.20 | Calculated Property |
| Pvap | 6.04 | kPa | 373.67 | Calculated Property |
| Pvap | 11.54 | kPa | 389.15 | Calculated Property |
| Pvap | 20.76 | kPa | 404.62 | Calculated Property |
| Pvap | 35.47 | kPa | 420.10 | Calculated Property |
| Pvap | 57.94 | kPa | 435.57 | Calculated Property |
| Pvap | 90.97 | kPa | 451.05 | Calculated Property |
| Pvap | 137.90 | kPa | 466.52 | Calculated Property |
| Pvap | 202.67 | kPa | 482.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Thiophene, 2-butyl-.
Sources
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