- InChI
- InChI=1S/C5H3BrOS/c6-5-2-1-4(3-7)8-5/h1-3H
- InChI Key
- GFBVUFQNHLUCPX-UHFFFAOYSA-N
- Formula
- C5H3BrOS
- SMILES
- O=Cc1ccc(Br)s1
- Molecular Weight1
- 191.05
- CAS
- 4701-17-1
- Other Names
-
- 5-Bromothiophene-2-carboxaldehyde
- 5-Bromothiophene-2-carbaldehyde
- 2-Thiophenecarboxaldehyde, 5-bromo-
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (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).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3639 | Relay (1.0) Calculated Property | |
| ΔfG° | -42.02 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -0.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 65.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.323 | Crippen Calculated Property | |
| McVol | 97.270 | ml/mol | McGowan Calculated Property |
| Pc | 5285.47 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 491.32 | K | Relay (1.0) Calculated Property |
| Tc | 769.28 | K | Relay (1.0) Calculated Property |
| Tfus | 322.33 | K | Relay (1.0) Calculated Property |
| Vc | 0.337 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [379.20; 388.00] | K | [1.50; 1.90] |
|
| Tboilr | 379.20 | K | 1.50 | NIST |
| Tboilr | 388.00 | K | 1.90 | NIST |
Similar Compounds
Find more compounds similar to 5-Bromo-2-thiophenecarboxaldehyde.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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