- InChI
- InChI=1S/C11H9BrClFO3/c1-11(2,9(13)15)10(16)17-8-4-3-6(14)5-7(8)12/h3-5H,1-2H3
- InChI Key
- ROUGUNDOWOMSGL-UHFFFAOYSA-N
- Formula
- C11H9BrClFO3
- SMILES
-
CC(C)(C(=O)Cl)C(=O)Oc1ccc(F)cc
1Br - Molecular Weight1
- 323.54
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -417.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -608.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.29 | kJ/mol | Joback Calculated Property |
| log10WS | -4.22 | Crippen Calculated Property | |
| logPoct/wat | 3.285 | Crippen Calculated Property | |
| McVol | 182.610 | ml/mol | McGowan Calculated Property |
| Pc | 2896.73 | kPa | Joback Calculated Property |
| Inp | [1663.00; 1663.00] |
|
|
| Inp | 1663.00 | NIST | |
| Inp | 1663.00 | NIST | |
| Tboil | 717.51 | K | Joback Calculated Property |
| Tc | 952.74 | K | Joback Calculated Property |
| Tfus | 480.01 | K | Joback Calculated Property |
| Vc | 0.692 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [428.81; 477.76] | J/mol×K | [717.51; 952.74] |
|
| Cp,gas | 428.81 | J/mol×K | 717.51 | Joback Calculated Property |
| Cp,gas | 438.94 | J/mol×K | 756.72 | Joback Calculated Property |
| Cp,gas | 448.21 | J/mol×K | 795.92 | Joback Calculated Property |
| Cp,gas | 456.67 | J/mol×K | 835.13 | Joback Calculated Property |
| Cp,gas | 464.38 | J/mol×K | 874.33 | Joback Calculated Property |
| Cp,gas | 471.40 | J/mol×K | 913.54 | Joback Calculated Property |
| Cp,gas | 477.76 | J/mol×K | 952.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, monochloride, 2-bromo-4-fluorophenyl ester.
Sources
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