- InChI
- InChI=1S/C4H3BrO/c5-4-1-2-6-3-4/h1-3H
- InChI Key
- LXWLEQZDXOQZGW-UHFFFAOYSA-N
- Formula
- C4H3BrO
- SMILES
- Brc1ccoc1
- Molecular Weight1
- 146.97
- CAS
- 22037-28-1
- Other Names
-
- «beta»-Bromofuran
- 3-Bromofuran
- 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).
- 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 | 0.2594 | Relay (1.0) Calculated Property | |
| ΔfG° | 4.56 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 10.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 41.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.14 | eV | NIST |
| log10WS | -1.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.042 | Crippen Calculated Property | |
| McVol | 71.130 | ml/mol | McGowan Calculated Property |
| Pc | 5351.62 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 376.20 | K | NIST |
| Tc | 637.28 | K | Relay (1.0) Calculated Property |
| Tfus | 255.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.260 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Furan, 3-bromo-.
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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