- InChI
- InChI=1S/C16H11BrF2O4/c17-13-9-11(19)4-5-14(13)23-16(21)7-6-15(20)22-12-3-1-2-10(18)8-12/h1-5,8-9H,6-7H2
- InChI Key
- IDNKLJXQJRUYKO-UHFFFAOYSA-N
- Formula
- C16H11BrF2O4
- SMILES
-
O=C(CCC(=O)Oc1ccc(F)cc1Br)Oc1c
ccc(F)c1 - Molecular Weight1
- 385.16
- 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° | -563.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -790.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.86 | kJ/mol | Joback Calculated Property |
| log10WS | -5.57 | Crippen Calculated Property | |
| logPoct/wat | 4.019 | Crippen Calculated Property | |
| McVol | 224.700 | ml/mol | McGowan Calculated Property |
| Pc | 2342.82 | kPa | Joback Calculated Property |
| Inp | [2410.00; 2410.00] |
|
|
| Inp | 2410.00 | NIST | |
| Inp | 2410.00 | NIST | |
| Tboil | 851.06 | K | Joback Calculated Property |
| Tc | 1080.48 | K | Joback Calculated Property |
| Tfus | 565.78 | K | Joback Calculated Property |
| Vc | 0.862 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [602.28; 649.30] | J/mol×K | [851.06; 1080.48] |
|
| Cp,gas | 602.28 | J/mol×K | 851.06 | Joback Calculated Property |
| Cp,gas | 612.65 | J/mol×K | 889.30 | Joback Calculated Property |
| Cp,gas | 621.97 | J/mol×K | 927.53 | Joback Calculated Property |
| Cp,gas | 630.28 | J/mol×K | 965.77 | Joback Calculated Property |
| Cp,gas | 637.58 | J/mol×K | 1004.01 | Joback Calculated Property |
| Cp,gas | 643.91 | J/mol×K | 1042.24 | Joback Calculated Property |
| Cp,gas | 649.30 | J/mol×K | 1080.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2-bromo-4-fluorophenyl 3-fluorophenyl ester.
Sources
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