- InChI
- InChI=1S/C15H11BrF8O4/c16-8-1-3-9(4-2-8)28-11(26)6-5-10(25)27-7-13(19,20)15(23,24)14(21,22)12(17)18/h1-4,12H,5-7H2
- InChI Key
- CSGCYOZGOURNLI-UHFFFAOYSA-N
- Formula
- C15H11BrF8O4
- SMILES
-
O=C(CCC(=O)Oc1ccc(Br)cc1)OCC(F
)(F)C(F)(F)C(F)(F)C(F)F - Molecular Weight1
- 487.14
- 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° | -1827.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2191.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.86 | kJ/mol | Joback Calculated Property |
| log10WS | -6.00 | Crippen Calculated Property | |
| logPoct/wat | 4.849 | Crippen Calculated Property | |
| McVol | 244.990 | ml/mol | McGowan Calculated Property |
| Pc | 1631.17 | kPa | Joback Calculated Property |
| Inp | 2041.00 | NIST | |
| Tboil | 777.03 | K | Joback Calculated Property |
| Tc | 967.29 | K | Joback Calculated Property |
| Tfus | 498.85 | K | Joback Calculated Property |
| Vc | 0.983 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [700.35; 750.77] | J/mol×K | [777.03; 967.29] | 
|
| Cp,gas | 700.35 | J/mol×K | 777.03 | Joback Calculated Property |
| Cp,gas | 710.59 | J/mol×K | 808.74 | Joback Calculated Property |
| Cp,gas | 720.01 | J/mol×K | 840.45 | Joback Calculated Property |
| Cp,gas | 728.67 | J/mol×K | 872.16 | Joback Calculated Property |
| Cp,gas | 736.64 | J/mol×K | 903.87 | Joback Calculated Property |
| Cp,gas | 743.99 | J/mol×K | 935.58 | Joback Calculated Property |
| Cp,gas | 750.77 | J/mol×K | 967.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 4-bromophenyl ester.
Sources
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