- InChI
- InChI=1S/C26H29Br2O4P/c1-16(2)20-9-7-18(5)25(13-20)31-33(29,30-24-12-11-22(27)15-23(24)28)32-26-14-21(17(3)4)10-8-19(26)6/h7-17H,1-6H3
- InChI Key
- VIBSECJWMGAVHP-UHFFFAOYSA-N
- Formula
- C26H29Br2O4P
- SMILES
-
Cc1ccc(C(C)C)cc1OP(=O)(Oc1cc(C
(C)C)ccc1C)Oc1ccc(Br)cc1Br - Molecular Weight1
- 596.29
- CAS
- 116295-53-5
- 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).
- 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 | 0.9977 | Relay (... Calculated Property | |
| ΔfG° | -175.13 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -598.07 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 137.09 | kJ/mol | Relay (... Calculated Property |
| IE | 8.07 | eV | Relay (... Calculated Property |
| log10WS | -9.67 | Relay (... Calculated Property | |
| logPoct/wat | 9.720 | Crippen Calculated Property | |
| McVol | 384.860 | ml/mol | McGowan Calculated Property |
| Pc | 539.16 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 742.90 | K | Relay (... Calculated Property |
| Tc | 1058.29 | K | Relay (... Calculated Property |
| Tfus | 401.26 | K | Relay (... Calculated Property |
| Vc | 1.366 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Dibromophenyl bis(5-isopropyl-2-methylphenyl) 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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