- InChI
- InChI=1S/C8H10BrO4P/c1-11-14(10,12-2)13-8-5-3-7(9)4-6-8/h3-6H,1-2H3
- InChI Key
- QEQBXPUBBUQQSW-UHFFFAOYSA-N
- Formula
- C8H10BrO4P
- SMILES
- COP(=O)(OC)Oc1ccc(Br)cc1
- Molecular Weight1
- 281.04
- 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 | 0.5413 | Relay (... Calculated Property | |
| ΔfG° | -333.64 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -607.66 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 79.86 | kJ/mol | Relay (... Calculated Property |
| IE | 8.77 | eV | Relay (... Calculated Property |
| log10WS | -2.44 | Relay (... Calculated Property | |
| logPoct/wat | 3.229 | Crippen Calculated Property | |
| McVol | 161.260 | ml/mol | McGowan Calculated Property |
| Pc | 2581.04 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1666.00; 1666.00] |
|
|
| Inp | 1666.00 | NIST | |
| Inp | 1666.00 | NIST | |
| I | 2410.00 | NIST | |
| Tboil | 586.71 | K | Relay (... Calculated Property |
| Tc | 773.42 | K | Relay (... Calculated Property |
| Tfus | 299.81 | K | Relay (... Calculated Property |
| Vc | 0.589 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Dimethyl 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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