- InChI
- InChI=1S/C17H9BrF6O4/c18-9-5-7(19)1-2-10(9)28-12(26)4-3-11(25)27-6-8-13(20)15(22)17(24)16(23)14(8)21/h1-2,5H,3-4,6H2
- InChI Key
- YJWWNPPVCHQUHP-UHFFFAOYSA-N
- Formula
- C17H9BrF6O4
- SMILES
-
O=C(CCC(=O)Oc1ccc(F)cc1Br)OCc1
c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 471.14
- 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° | -1372.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1641.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 54.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.47 | kJ/mol | Joback Calculated Property |
| log10WS | -7.17 | Crippen Calculated Property | |
| logPoct/wat | 4.713 | Crippen Calculated Property | |
| McVol | 245.870 | ml/mol | McGowan Calculated Property |
| Pc | 1733.22 | kPa | Joback Calculated Property |
| Inp | 2370.00 | NIST | |
| Tboil | 890.94 | K | Joback Calculated Property |
| Tc | 1100.04 | K | Joback Calculated Property |
| Tfus | 629.49 | K | Joback Calculated Property |
| Vc | 0.990 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [679.80; 719.33] | J/mol×K | [890.94; 1100.04] | 
|
| Cp,gas | 679.80 | J/mol×K | 890.94 | Joback Calculated Property |
| Cp,gas | 688.70 | J/mol×K | 925.79 | Joback Calculated Property |
| Cp,gas | 696.68 | J/mol×K | 960.64 | Joback Calculated Property |
| Cp,gas | 703.73 | J/mol×K | 995.49 | Joback Calculated Property |
| Cp,gas | 709.85 | J/mol×K | 1030.34 | Joback Calculated Property |
| Cp,gas | 715.05 | J/mol×K | 1065.19 | Joback Calculated Property |
| Cp,gas | 719.33 | J/mol×K | 1100.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2-bromo-4-fluorophenyl pentafluorobenzyl ester.
Sources
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