- InChI
- InChI=1S/C4H3IS/c5-4-2-1-3-6-4/h1-3H
- InChI Key
- ROIMNSWDOJCBFR-UHFFFAOYSA-N
- Formula
- C4H3IS
- SMILES
- Ic1cccs1
- Molecular Weight1
- 210.04
- CAS
- 3437-95-4
- Other Names
-
- 2-Iodothiophene
- 2-Thienyl iodide
- «alpha»-Iodothiophene
- «alpha»-Iodothiophene
- 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).
- 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 |
|---|---|---|---|
| IE | [8.46; 8.55] | eV |
|
| IE | 8.55 ± 0.05 | eV | NIST |
| IE | 8.46 | eV | NIST |
| IE | 8.52 ± 0.05 | eV | NIST |
| log10WS | -2.38 | Crippen Calculated Property | |
| logPoct/wat | 2.353 | Crippen Calculated Property | |
| McVol | 89.930 | ml/mol | McGowan Calculated Property |
| Tboil | 454.65 ± 1.50 | K | NIST |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 29.00 | kJ/mol | 353.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 346.20 | K | 2.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [308.50; 485.20] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 2.04547e+01 | |||
| Coefficient B | -1.07412e+04 | |||
| Coefficient C | 2.24114e+02 | |||
| Temperature range, min. | 308.50 | |||
| Temperature range, max. | 485.20 | |||
| Pvap | 1.33 | kPa | 308.50 | Calculated Property |
| Pvap | 2.73 | kPa | 328.13 | Calculated Property |
| Pvap | 5.32 | kPa | 347.77 | Calculated Property |
| Pvap | 9.93 | kPa | 367.40 | Calculated Property |
| Pvap | 17.80 | kPa | 387.03 | Calculated Property |
| Pvap | 30.76 | kPa | 406.67 | Calculated Property |
| Pvap | 51.43 | kPa | 426.30 | Calculated Property |
| Pvap | 83.44 | kPa | 445.93 | Calculated Property |
| Pvap | 131.69 | kPa | 465.57 | Calculated Property |
| Pvap | 202.67 | kPa | 485.20 | Calculated Property |
Similar Compounds
Find more compounds similar to Thiophene, 2-iodo-.
Sources
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