- InChI
- InChI=1S/C10H13BrClF3O3/c1-3-9(4-2,7(12)16)8(17)18-6(5-11)10(13,14)15/h6H,3-5H2,1-2H3
- InChI Key
- YCUHVTMPPPRDCK-UHFFFAOYSA-N
- Formula
- C10H13BrClF3O3
- SMILES
-
CCC(CC)(C(=O)Cl)C(=O)OC(CBr)C(
F)(F)F - Molecular Weight1
- 353.56
- 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° | -908.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1207.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.14 | kJ/mol | Joback Calculated Property |
| log10WS | -3.76 | Crippen Calculated Property | |
| logPoct/wat | 3.427 | Crippen Calculated Property | |
| McVol | 195.820 | ml/mol | McGowan Calculated Property |
| Pc | 2212.45 | kPa | Joback Calculated Property |
| Inp | 1323.00 | NIST | |
| Tboil | 652.86 | K | Joback Calculated Property |
| Tc | 848.61 | K | Joback Calculated Property |
| Tfus | 405.88 | K | Joback Calculated Property |
| Vc | 0.762 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [488.12; 544.26] | J/mol×K | [652.86; 848.61] | 
|
| Cp,gas | 488.12 | J/mol×K | 652.86 | Joback Calculated Property |
| Cp,gas | 499.28 | J/mol×K | 685.49 | Joback Calculated Property |
| Cp,gas | 509.66 | J/mol×K | 718.11 | Joback Calculated Property |
| Cp,gas | 519.29 | J/mol×K | 750.74 | Joback Calculated Property |
| Cp,gas | 528.24 | J/mol×K | 783.36 | Joback Calculated Property |
| Cp,gas | 536.54 | J/mol×K | 815.99 | Joback Calculated Property |
| Cp,gas | 544.26 | J/mol×K | 848.61 | Joback Calculated Property |
Similar Compounds
Sources
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