- InChI
- InChI=1S/C11H5BrF6O4/c12-6-1-2-7(22-9(20)11(16,17)18)5(3-6)4-21-8(19)10(13,14)15/h1-3H,4H2
- InChI Key
- AAWFKQZMAFIGMQ-UHFFFAOYSA-N
- Formula
- C11H5BrF6O4
- SMILES
-
O=C(OCc1cc(Br)ccc1OC(=O)C(F)(F
)F)C(F)(F)F - Molecular Weight1
- 395.05
- 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 | 0.6326 | Relay (1.0) Calculated Property | |
| ΔfG° | -1481.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1767.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.522 | Crippen Calculated Property | |
| McVol | 185.090 | ml/mol | McGowan Calculated Property |
| Pc | 2393.53 | kPa | Joback Calculated Property |
| Inp | 1333.00 | NIST | |
| Tboil | 513.96 | K | Relay (1.0) Calculated Property |
| Tc | 703.85 | K | Relay (1.0) Calculated Property |
| Tfus | 322.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.671 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [474.11; 516.88] | J/mol×K | [695.62; 892.42] | 
|
| Cp,gas | 474.11 | J/mol×K | 695.62 | Joback Calculated Property |
| Cp,gas | 482.91 | J/mol×K | 728.42 | Joback Calculated Property |
| Cp,gas | 490.99 | J/mol×K | 761.22 | Joback Calculated Property |
| Cp,gas | 498.39 | J/mol×K | 794.02 | Joback Calculated Property |
| Cp,gas | 505.15 | J/mol×K | 826.82 | Joback Calculated Property |
| Cp,gas | 511.30 | J/mol×K | 859.62 | Joback Calculated Property |
| Cp,gas | 516.88 | J/mol×K | 892.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Bromo-2-hydroxybenzyl alcohol, bis(trifluoroacetate).
Sources
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