- InChI
- InChI=1S/C8H4BrF5O/c9-1-2-15-8-6(13)4(11)3(10)5(12)7(8)14/h1-2H2
- InChI Key
- DZKOVQHPLXTXML-UHFFFAOYSA-N
- Formula
- C8H4BrF5O
- SMILES
- Fc1c(F)c(F)c(OCCBr)c(F)c1F
- Molecular Weight1
- 291.01
- CAS
- 6669-01-8
- 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° | -983.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1115.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.75 | kJ/mol | Joback Calculated Property |
| log10WS | -4.10 | Crippen Calculated Property | |
| logPoct/wat | 3.156 | Crippen Calculated Property | |
| McVol | 132.040 | ml/mol | McGowan Calculated Property |
| Pc | 2761.36 | kPa | Joback Calculated Property |
| Tboil | 518.95 | K | Joback Calculated Property |
| Tc | 699.29 | K | Joback Calculated Property |
| Tfus | 353.92 | K | Joback Calculated Property |
| Vc | 0.545 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [274.62; 316.15] | J/mol×K | [518.95; 699.29] | 
|
| Cp,gas | 274.62 | J/mol×K | 518.95 | Joback Calculated Property |
| Cp,gas | 282.28 | J/mol×K | 549.01 | Joback Calculated Property |
| Cp,gas | 289.64 | J/mol×K | 579.06 | Joback Calculated Property |
| Cp,gas | 296.71 | J/mol×K | 609.12 | Joback Calculated Property |
| Cp,gas | 303.49 | J/mol×K | 639.17 | Joback Calculated Property |
| Cp,gas | 309.97 | J/mol×K | 669.23 | Joback Calculated Property |
| Cp,gas | 316.15 | J/mol×K | 699.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenetole: beta-bromo-2,3,4,5,6-pentafluoro-.
Sources
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