- InChI
- InChI=1S/C10H14BrO4P/c1-3-13-16(12,14-4-2)15-10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3
- InChI Key
- VFNLVHJJCJDLRL-UHFFFAOYSA-N
- Formula
- C10H14BrO4P
- SMILES
- CCOP(=O)(OCC)Oc1ccc(Br)cc1
- Molecular Weight1
- 309.09
- 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 | 0.6074 | Relay (... Calculated Property | |
| ΔfG° | -370.40 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -672.78 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 84.11 | kJ/mol | Relay (... Calculated Property |
| IE | 8.58 | eV | Relay (... Calculated Property |
| log10WS | -2.99 | Relay (... Calculated Property | |
| logPoct/wat | 4.009 | Crippen Calculated Property | |
| McVol | 189.440 | ml/mol | McGowan Calculated Property |
| Pc | 2172.64 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1790.00; 1790.00] |
|
|
| Inp | 1790.00 | NIST | |
| Inp | 1790.00 | NIST | |
| I | [2510.00; 2510.00] |
|
|
| I | 2510.00 | NIST | |
| I | 2510.00 | NIST | |
| Tboil | 600.68 | K | Relay (... Calculated Property |
| Tc | 772.54 | K | Relay (... Calculated Property |
| Tfus | 277.61 | K | Relay (... Calculated Property |
| Vc | 0.693 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Diethyl 4-bromophenyl 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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