- InChI
- InChI=1S/C16H10BrClF2O4/c17-10-8-9(19)4-5-13(10)23-14(21)6-7-15(22)24-16-11(18)2-1-3-12(16)20/h1-5,8H,6-7H2
- InChI Key
- CPTOCYAQDGRLAI-UHFFFAOYSA-N
- Formula
- C16H10BrClF2O4
- SMILES
-
O=C(CCC(=O)Oc1c(F)cccc1Cl)Oc1c
cc(F)cc1Br - Molecular Weight1
- 419.60
- 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 | 0.8196 | Relay (1.0) Calculated Property | |
| ΔfG° | -584.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -828.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.672 | Crippen Calculated Property | |
| McVol | 236.940 | ml/mol | McGowan Calculated Property |
| Pc | 2229.20 | kPa | Joback Calculated Property |
| Inp | 2536.00 | NIST | |
| Tboil | 630.32 | K | Relay (1.0) Calculated Property |
| Tc | 910.21 | K | Relay (1.0) Calculated Property |
| Tfus | 357.40 | K | Relay (1.0) Calculated Property |
| Vc | 0.852 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [619.72; 658.85] | J/mol×K | [893.47; 1126.61] | 
|
| Cp,gas | 619.72 | J/mol×K | 893.47 | Joback Calculated Property |
| Cp,gas | 628.78 | J/mol×K | 932.33 | Joback Calculated Property |
| Cp,gas | 636.81 | J/mol×K | 971.18 | Joback Calculated Property |
| Cp,gas | 643.80 | J/mol×K | 1010.04 | Joback Calculated Property |
| Cp,gas | 649.80 | J/mol×K | 1048.90 | Joback Calculated Property |
| Cp,gas | 654.81 | J/mol×K | 1087.75 | Joback Calculated Property |
| Cp,gas | 658.85 | J/mol×K | 1126.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2-chloro-6-fluorophenyl 2-bromo-4-fluorophenyl ester.
Sources
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