- InChI
- InChI=1S/C12H10BrCl2FO4/c13-8-5-7(16)1-2-9(8)20-12(18)4-3-11(17)19-6-10(14)15/h1-2,5,10H,3-4,6H2
- InChI Key
- GREPBZAYKWAYLJ-UHFFFAOYSA-N
- Formula
- C12H10BrCl2FO4
- SMILES
-
O=C(CCC(=O)Oc1ccc(F)cc1Br)OCC(
Cl)Cl - Molecular Weight1
- 388.01
- 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° | -531.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -773.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.22 | kJ/mol | Joback Calculated Property |
| log10WS | -4.73 | Crippen Calculated Property | |
| logPoct/wat | 3.621 | Crippen Calculated Property | |
| McVol | 214.810 | ml/mol | McGowan Calculated Property |
| Pc | 2453.17 | kPa | Joback Calculated Property |
| Inp | 2234.00 | NIST | |
| Tboil | 803.03 | K | Joback Calculated Property |
| Tc | 1027.06 | K | Joback Calculated Property |
| Tfus | 526.01 | K | Joback Calculated Property |
| Vc | 0.820 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [521.78; 565.82] | J/mol×K | [803.03; 1027.06] | 
|
| Cp,gas | 521.78 | J/mol×K | 803.03 | Joback Calculated Property |
| Cp,gas | 531.21 | J/mol×K | 840.37 | Joback Calculated Property |
| Cp,gas | 539.79 | J/mol×K | 877.71 | Joback Calculated Property |
| Cp,gas | 547.53 | J/mol×K | 915.04 | Joback Calculated Property |
| Cp,gas | 554.44 | J/mol×K | 952.38 | Joback Calculated Property |
| Cp,gas | 560.54 | J/mol×K | 989.72 | Joback Calculated Property |
| Cp,gas | 565.82 | J/mol×K | 1027.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2,2-dichloroethyl 2-bromo-4-fluorophenyl ester.
Sources
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