- InChI
- InChI=1S/C4H2Br2O3/c5-2(1-7)3(6)4(8)9/h1H,(H,8,9)/b3-2-
- InChI Key
- NCNYEGJDGNOYJX-IHWYPQMZSA-N
- Formula
- C4H2Br2O3
- SMILES
- O=CC(Br)=C(Br)C(=O)O
- Molecular Weight1
- 257.87
- CAS
- 488-11-9
- Other Names
-
- 2-Butenoic acid, 2,3-dibromo-4-oxo-, (Z)-
- Bromomucic acid
- Malealdehydic acid, dibromo-
- Mucobromic acid (2,3-dibromo-4-oxo-2-butenoic acid) (open form)
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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 | 0.7025 | Relay (1.0) Calculated Property | |
| ΔfG° | -290.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -385.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.271 | Crippen Calculated Property | |
| McVol | 106.930 | ml/mol | McGowan Calculated Property |
| Pc | 7267.82 | kPa | Joback Calculated Property |
| Tboil | 531.22 | K | Relay (1.0) Calculated Property |
| Tc | 821.09 | K | Relay (1.0) Calculated Property |
| Tfus | 406.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.360 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [183.41; 201.42] | J/mol×K | [621.87; 843.79] | 
|
| Cp,gas | 183.41 | J/mol×K | 621.87 | Joback Calculated Property |
| Cp,gas | 187.11 | J/mol×K | 658.86 | Joback Calculated Property |
| Cp,gas | 190.47 | J/mol×K | 695.84 | Joback Calculated Property |
| Cp,gas | 193.53 | J/mol×K | 732.83 | Joback Calculated Property |
| Cp,gas | 196.35 | J/mol×K | 769.81 | Joback Calculated Property |
| Cp,gas | 198.96 | J/mol×K | 806.80 | Joback Calculated Property |
| Cp,gas | 201.42 | J/mol×K | 843.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Mucobromic acid.
Sources
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