- InChI
- InChI=1S/C6H6BrClO3/c1-3(7)5(9)4(8)6(10)11-2/h4H,1H2,2H3
- InChI Key
- SAGQKOKUIJJBAB-UHFFFAOYSA-N
- Formula
- C6H6BrClO3
- SMILES
- C=C(Br)C(=O)C(Cl)C(=O)OC
- Molecular Weight1
- 241.47
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.4548 | Relay (1.0) Calculated Property | |
| ΔfG° | -283.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -476.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.244 | Crippen Calculated Property | |
| McVol | 129.850 | ml/mol | McGowan Calculated Property |
| Pc | 3916.03 | kPa | Joback Calculated Property |
| Inp | 1478.00 | NIST | |
| Tboil | 479.84 | K | Relay (1.0) Calculated Property |
| Tc | 707.58 | K | Relay (1.0) Calculated Property |
| Tfus | 321.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.441 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [250.24; 290.49] | J/mol×K | [566.55; 787.74] | 
|
| Cp,gas | 250.24 | J/mol×K | 566.55 | Joback Calculated Property |
| Cp,gas | 258.16 | J/mol×K | 603.41 | Joback Calculated Property |
| Cp,gas | 265.58 | J/mol×K | 640.28 | Joback Calculated Property |
| Cp,gas | 272.50 | J/mol×K | 677.14 | Joback Calculated Property |
| Cp,gas | 278.95 | J/mol×K | 714.01 | Joback Calculated Property |
| Cp,gas | 284.94 | J/mol×K | 750.87 | Joback Calculated Property |
| Cp,gas | 290.49 | J/mol×K | 787.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethyl 2-chloro-4-bromo-3-oxopentanedioate.
Sources
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