- InChI
- InChI=1S/C20H30BrF3O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-27-18(25)13-14-19(26)28-17(16-21)20(22,23)24/h17H,2-10,13-16H2,1H3
- InChI Key
- RQLHKFVRZOOXKV-UHFFFAOYSA-N
- Formula
- C20H30BrF3O4
- SMILES
-
CCCCCCCCCCC#CCOC(=O)CCC(=O)OC(
CBr)C(F)(F)F - Molecular Weight1
- 471.35
- 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° | -717.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1249.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 59.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.88 | kJ/mol | Joback Calculated Property |
| log10WS | -6.92 | Crippen Calculated Property | |
| logPoct/wat | 5.713 | Crippen Calculated Property | |
| McVol | 321.750 | ml/mol | McGowan Calculated Property |
| Pc | 1168.82 | kPa | Joback Calculated Property |
| Inp | 2501.00 | NIST | |
| Tboil | 878.88 | K | Joback Calculated Property |
| Tc | 1078.04 | K | Joback Calculated Property |
| Tfus | 614.57 | K | Joback Calculated Property |
| Vc | 1.264 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [987.23; 1063.19] | J/mol×K | [878.88; 1078.04] | 
|
| Cp,gas | 987.23 | J/mol×K | 878.88 | Joback Calculated Property |
| Cp,gas | 1002.28 | J/mol×K | 912.07 | Joback Calculated Property |
| Cp,gas | 1016.31 | J/mol×K | 945.27 | Joback Calculated Property |
| Cp,gas | 1029.37 | J/mol×K | 978.46 | Joback Calculated Property |
| Cp,gas | 1041.51 | J/mol×K | 1011.66 | Joback Calculated Property |
| Cp,gas | 1052.77 | J/mol×K | 1044.85 | Joback Calculated Property |
| Cp,gas | 1063.19 | J/mol×K | 1078.04 | Joback Calculated Property |
Similar Compounds
Sources
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