- InChI
- InChI=1S/C14H22BrO4P/c1-3-5-11-17-20(16,18-12-6-4-2)19-14-9-7-13(15)8-10-14/h7-10H,3-6,11-12H2,1-2H3
- InChI Key
- SYGNAIVBBLSRJL-UHFFFAOYSA-N
- Formula
- C14H22BrO4P
- SMILES
- CCCCOP(=O)(OCCCC)Oc1ccc(Br)cc1
- Molecular Weight1
- 365.20
- 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.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- I : 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 | 0.7798 | Relay (1.0) Calculated Property | |
| ΔfG° | -350.33 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -765.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 95.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.569 | Crippen Calculated Property | |
| McVol | 245.800 | ml/mol | McGowan Calculated Property |
| Pc | 1749.67 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2190.00; 2190.00] |
|
|
| Inp | 2190.00 | NIST | |
| Inp | 2190.00 | NIST | |
| I | [2810.00; 2810.00] |
|
|
| I | 2810.00 | NIST | |
| I | 2810.00 | NIST | |
| Tboil | 637.39 | K | Relay (1.0) Calculated Property |
| Tc | 812.68 | K | Relay (1.0) Calculated Property |
| Tfus | 245.25 | K | Relay (1.0) Calculated Property |
| Vc | 0.902 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Dibutyl 4-bromo-phenyl phosphate.
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
- McGowan Method
- NIST Webbook
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