- InChI
- InChI=1S/C7H10S/c1-6(2)7-4-3-5-8-7/h3-6H,1-2H3
- InChI Key
- LOXBELRNKUFSRD-UHFFFAOYSA-N
- Formula
- C7H10S
- SMILES
- CC(C)c1cccs1
- Molecular Weight1
- 126.22
- CAS
- 4095-22-1
- Other Names
-
- 2-(1-Methylethyl)-thiophene
- 2-Isopropylthiophene
- Isopropylthiophene
- Thiophene, 2-isopropyl-
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- 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.
- 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 |
|---|---|---|---|
| ΔcH°liquid | -4773.70 ± 1.80 | kJ/mol | NIST |
| ΔfH°liquid | -11.60 ± 1.80 | kJ/mol | NIST |
| log10WS | -2.41 | Crippen Calculated Property | |
| logPoct/wat | 2.871 | Crippen Calculated Property | |
| McVol | 106.380 | ml/mol | McGowan Calculated Property |
| Inp | [945.00; 976.00] |
|
|
| Inp | 945.00 | NIST | |
| Inp | 976.00 | NIST | |
| Tboil | 425.20 ± 1.50 | K | NIST |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 41.50 | kJ/mol | 410.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [314.41; 452.69] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.44373e+01 | |||
| Coefficient B | -3.55428e+03 | |||
| Coefficient C | -6.32200e+01 | |||
| Temperature range, min. | 314.41 | |||
| Temperature range, max. | 452.69 | |||
| Pvap | 1.33 | kPa | 314.41 | Calculated Property |
| Pvap | 3.01 | kPa | 329.77 | Calculated Property |
| Pvap | 6.23 | kPa | 345.14 | Calculated Property |
| Pvap | 11.96 | kPa | 360.50 | Calculated Property |
| Pvap | 21.52 | kPa | 375.87 | Calculated Property |
| Pvap | 36.65 | kPa | 391.23 | Calculated Property |
| Pvap | 59.52 | kPa | 406.60 | Calculated Property |
| Pvap | 92.73 | kPa | 421.96 | Calculated Property |
| Pvap | 139.29 | kPa | 437.33 | Calculated Property |
| Pvap | 202.63 | kPa | 452.69 | Calculated Property |
Similar Compounds
Find more compounds similar to Thiophene, 2-(1-methylethyl)-.
Sources
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