- InChI
- InChI=1S/C11H18S/c1-2-3-4-5-6-8-11-9-7-10-12-11/h7,9-10H,2-6,8H2,1H3
- InChI Key
- FGGZOCMVJAJPMH-UHFFFAOYSA-N
- Formula
- C11H18S
- SMILES
- CCCCCCCc1cccs1
- Molecular Weight1
- 182.33
- CAS
- 18794-78-0
- Other Names
-
- 2-Heptylthiophene
- 2-n-Heptylthiophene
- 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 |
|---|---|---|---|
| log10WS | -4.12 | Crippen Calculated Property | |
| logPoct/wat | 4.261 | Crippen Calculated Property | |
| McVol | 162.740 | ml/mol | McGowan Calculated Property |
| Inp | [1359.00; 1379.00] |
|
|
| Inp | 1379.00 | NIST | |
| Inp | 1359.00 | NIST | |
| Inp | 1359.00 | NIST | |
| I | [1652.00; 1684.00] |
|
|
| I | 1684.00 | NIST | |
| I | 1652.00 | NIST | |
| I | 1653.00 | NIST | |
| I | 1660.00 | NIST | |
| I | 1670.00 | NIST | |
| I | 1684.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [392.08; 543.02] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.54959e+01 | |||
| Coefficient B | -4.65366e+03 | |||
| Coefficient C | -8.60850e+01 | |||
| Temperature range, min. | 392.08 | |||
| Temperature range, max. | 543.02 | |||
| Pvap | 1.33 | kPa | 392.08 | Calculated Property |
| Pvap | 2.94 | kPa | 408.85 | Calculated Property |
| Pvap | 5.99 | kPa | 425.62 | Calculated Property |
| Pvap | 11.42 | kPa | 442.39 | Calculated Property |
| Pvap | 20.54 | kPa | 459.16 | Calculated Property |
| Pvap | 35.12 | kPa | 475.94 | Calculated Property |
| Pvap | 57.47 | kPa | 492.71 | Calculated Property |
| Pvap | 90.43 | kPa | 509.48 | Calculated Property |
| Pvap | 137.46 | kPa | 526.25 | Calculated Property |
| Pvap | 202.63 | kPa | 543.02 | Calculated Property |
Similar Compounds
Find more compounds similar to Thiophene, 2-heptyl-.
Sources
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