- InChI
- InChI=1S/C15H23BrClF3O4/c16-11-12(15(18,19)20)24-14(22)8-7-13(21)23-10-6-4-2-1-3-5-9-17/h12H,1-11H2
- InChI Key
- GZOGOKOEMUQTEV-UHFFFAOYSA-N
- Formula
- C15H23BrClF3O4
- SMILES
-
O=C(CCC(=O)OC(CBr)C(F)(F)F)OCC
CCCCCCCl - Molecular Weight1
- 439.69
- 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 | 0.9535 | Relay (1.0) Calculated Property | |
| ΔfG° | -974.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1615.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.758 | Crippen Calculated Property | |
| McVol | 272.140 | ml/mol | McGowan Calculated Property |
| Pc | 1432.63 | kPa | Joback Calculated Property |
| Inp | 2266.00 | NIST | |
| Tboil | 599.33 | K | Relay (1.0) Calculated Property |
| Tc | 756.65 | K | Relay (1.0) Calculated Property |
| Tfus | 315.82 | K | Relay (1.0) Calculated Property |
| Vc | 0.973 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [776.19; 843.00] | J/mol×K | [792.91; 979.37] | 
|
| Cp,gas | 776.19 | J/mol×K | 792.91 | Joback Calculated Property |
| Cp,gas | 789.28 | J/mol×K | 823.99 | Joback Calculated Property |
| Cp,gas | 801.55 | J/mol×K | 855.06 | Joback Calculated Property |
| Cp,gas | 813.02 | J/mol×K | 886.14 | Joback Calculated Property |
| Cp,gas | 823.74 | J/mol×K | 917.21 | Joback Calculated Property |
| Cp,gas | 833.72 | J/mol×K | 948.29 | Joback Calculated Property |
| Cp,gas | 843.00 | J/mol×K | 979.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 8-chlorooctyl 1-bromo-3,3,3-trifluoroprop-2-yl ester.
Sources
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