- InChI
- InChI=1S/C6H6BrClO4/c1-11-5(9)3(7)4(8)6(10)12-2/h1-2H3/b4-3+
- InChI Key
- QSVNSPIQPOWBRG-ONEGZZNKSA-N
- Formula
- C6H6BrClO4
- SMILES
- COC(=O)C(Cl)=C(Br)C(=O)OC
- Molecular Weight1
- 257.47
- 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 | 0.5580 | Relay (1.0) Calculated Property | |
| ΔfG° | -402.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -640.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.178 | Crippen Calculated Property | |
| McVol | 135.720 | ml/mol | McGowan Calculated Property |
| Pc | 3867.48 | kPa | Joback Calculated Property |
| Inp | 1406.00 | NIST | |
| Tboil | 508.46 | K | Relay (1.0) Calculated Property |
| Tc | 709.64 | K | Relay (1.0) Calculated Property |
| Tfus | 353.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.488 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [269.04; 309.16] | J/mol×K | [596.77; 819.40] | 
|
| Cp,gas | 269.04 | J/mol×K | 596.77 | Joback Calculated Property |
| Cp,gas | 276.89 | J/mol×K | 633.88 | Joback Calculated Property |
| Cp,gas | 284.26 | J/mol×K | 670.98 | Joback Calculated Property |
| Cp,gas | 291.17 | J/mol×K | 708.09 | Joback Calculated Property |
| Cp,gas | 297.62 | J/mol×K | 745.19 | Joback Calculated Property |
| Cp,gas | 303.61 | J/mol×K | 782.30 | Joback Calculated Property |
| Cp,gas | 309.16 | J/mol×K | 819.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethyl 2-chloro-3-bromobutanedioate.
Sources
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