- InChI
- InChI=1S/C14H10BrF5OSi/c1-22(2,21-8-5-3-7(15)4-6-8)14-12(19)10(17)9(16)11(18)13(14)20/h3-6H,1-2H3
- InChI Key
- CVMWIBMDZPUBRF-UHFFFAOYSA-N
- Formula
- C14H10BrF5OSi
- SMILES
-
C[Si](C)(Oc1ccc(Br)cc1)c1c(F)c
(F)c(F)c(F)c1F - Molecular Weight1
- 397.21
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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.
- 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 | 0.6089 | Relay (1.0) Calculated Property | |
| ΔfG° | -718.45 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -857.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 75.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.636 | Crippen Calculated Property | |
| Pc | 1753.32 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1685.00; 1685.00] |
|
|
| Inp | 1685.00 | NIST | |
| Inp | 1685.00 | NIST | |
| Tboil | 571.08 | K | Relay (1.0) Calculated Property |
| Tc | 775.25 | K | Relay (1.0) Calculated Property |
| Tfus | 329.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.784 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 4-Bromophenol DMPFPS.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- NIST Webbook
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