- InChI
- InChI=1S/C15H15BrF4O5/c1-23-11-7-9(16)5-6-10(11)25-13(22)4-2-3-12(21)24-8-15(19,20)14(17)18/h5-7,14H,2-4,8H2,1H3
- InChI Key
- CCASVMMTWWIZPZ-UHFFFAOYSA-N
- Formula
- C15H15BrF4O5
- SMILES
-
COc1cc(Br)ccc1OC(=O)CCCC(=O)OC
C(F)(F)C(F)F - Molecular Weight1
- 431.17
- 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).
- 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° | -1168.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1533.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.79 | kJ/mol | Joback Calculated Property |
| log10WS | -5.07 | Crippen Calculated Property | |
| logPoct/wat | 3.977 | Crippen Calculated Property | |
| McVol | 243.780 | ml/mol | McGowan Calculated Property |
| Pc | 1786.37 | kPa | Joback Calculated Property |
| Tboil | 813.81 | K | Joback Calculated Property |
| Tc | 1013.64 | K | Joback Calculated Property |
| Tfus | 526.40 | K | Joback Calculated Property |
| Vc | 0.951 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [689.91; 744.22] | J/mol×K | [813.81; 1013.64] | 
|
| Cp,gas | 689.91 | J/mol×K | 813.81 | Joback Calculated Property |
| Cp,gas | 701.15 | J/mol×K | 847.12 | Joback Calculated Property |
| Cp,gas | 711.49 | J/mol×K | 880.42 | Joback Calculated Property |
| Cp,gas | 720.95 | J/mol×K | 913.73 | Joback Calculated Property |
| Cp,gas | 729.54 | J/mol×K | 947.03 | Joback Calculated Property |
| Cp,gas | 737.29 | J/mol×K | 980.34 | Joback Calculated Property |
| Cp,gas | 744.22 | J/mol×K | 1013.64 | Joback Calculated Property |
Similar Compounds
Sources
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