- InChI
- InChI=1S/C5H6OS/c6-4-5-2-1-3-7-5/h1-3,6H,4H2
- InChI Key
- ZPHGMBGIFODUMF-UHFFFAOYSA-N
- Formula
- C5H6OS
- SMILES
- OCc1cccs1
- Molecular Weight1
- 114.17
- CAS
- 636-72-6
- Other Names
-
- (thiophen-2-yl)methanol
- 2-(hydroxymethyl)thiophene
- 2-Hydroxymethylthiophene
- 2-Thiophenecarbinol
- 2-thenyl alcohol
- 2-thienylcarbinol
- 2-thienylmethanol
- Thiophene, 2-(hydroxymethyl)-
- Thiophene-2-methanol
- 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).
- Tboilr : Boiling point at reduced pressure (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | -1.37 | Crippen Calculated Property | |
| logPoct/wat | 1.240 | Crippen Calculated Property | |
| McVol | 84.070 | ml/mol | McGowan Calculated Property |
| Inp | [1000.00; 1047.00] |
|
|
| Inp | 1024.00 | NIST | |
| Inp | 1030.00 | NIST | |
| Inp | 1030.00 | NIST | |
| Inp | 1000.00 | NIST | |
| Inp | 1047.00 | NIST | |
| Inp | 1024.00 | NIST | |
| Inp | 1000.00 | NIST | |
| I | [1890.00; 1951.00] |
|
|
| I | 1930.00 | NIST | |
| I | 1937.00 | NIST | |
| I | 1950.00 | NIST | |
| I | 1917.00 | NIST | |
| I | Outlier 1890.00 | NIST | |
| I | 1951.00 | NIST | |
| I | 1937.00 | NIST | |
| I | 1950.00 | NIST | |
| Tboil | 480.20 | K | NIST |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.55; 24.78] | kPa | [351.15; 433.65] |
|
| Pvap | 0.55 | kPa | 351.15 | Thermop... |
| Pvap | 0.67 | kPa | 354.25 | Thermop... |
| Pvap | 0.79 | kPa | 357.17 | Thermop... |
| Pvap | 1.02 | kPa | 361.30 | Thermop... |
| Pvap | 1.27 | kPa | 365.19 | Thermop... |
| Pvap | 1.35 | kPa | 366.38 | Thermop... |
| Pvap | 1.42 | kPa | 367.49 | Thermop... |
| Pvap | 1.48 | kPa | 368.14 | Thermop... |
| Pvap | 1.61 | kPa | 369.77 | Thermop... |
| Pvap | 1.88 | kPa | 372.56 | Thermop... |
| Pvap | 1.96 | kPa | 373.21 | Thermop... |
| Pvap | 2.44 | kPa | 377.74 | Thermop... |
| Pvap | 3.06 | kPa | 382.13 | Thermop... |
| Pvap | 3.67 | kPa | 386.07 | Thermop... |
| Pvap | 3.93 | kPa | 387.56 | Thermop... |
| Pvap | 4.15 | kPa | 388.56 | Thermop... |
| Pvap | 4.77 | kPa | 391.84 | Thermop... |
| Pvap | 5.25 | kPa | 393.87 | Thermop... |
| Pvap | 6.25 | kPa | 397.94 | Thermop... |
| Pvap | 6.80 | kPa | 399.72 | Thermop... |
| Pvap | 7.60 | kPa | 402.41 | Thermop... |
| Pvap | 8.25 | kPa | 404.37 | Thermop... |
| Pvap | 9.00 | kPa | 406.56 | Thermop... |
| Pvap | 9.66 | kPa | 408.27 | Thermop... |
| Pvap | 10.96 | kPa | 411.50 | Thermop... |
| Pvap | 12.60 | kPa | 415.06 | Thermop... |
| Pvap | 13.38 | kPa | 416.56 | Thermop... |
| Pvap | 14.47 | kPa | 418.63 | Thermop... |
| Pvap | 15.36 | kPa | 420.23 | Thermop... |
| Pvap | 16.51 | kPa | 422.21 | Thermop... |
| Pvap | 18.05 | kPa | 424.64 | Thermop... |
| Pvap | 19.00 | kPa | 426.07 | Thermop... |
| Pvap | 20.52 | kPa | 428.27 | Thermop... |
| Pvap | 21.34 | kPa | 429.37 | Thermop... |
| Pvap | 22.77 | kPa | 431.17 | Thermop... |
| Pvap | 23.88 | kPa | 432.56 | Thermop... |
| Pvap | 24.78 | kPa | 433.65 | Thermop... |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 369.20 | K | 1.60 | NIST |
Similar Compounds
Find more compounds similar to 2-Thiophenemethanol.
Sources
- Crippen Method
- Crippen Method
- Thermophysical properties of oxygenated thiophene derivatives: Experimental data and modelling
- McGowan Method
- NIST Webbook
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that the value is more than 2 standard deviations away from the
property mean.