- InChI
- InChI=1S/C22H39O3P/c1-3-5-7-9-11-16-20-24-26(23,22-18-14-13-15-19-22)25-21-17-12-10-8-6-4-2/h13-15,18-19H,3-12,16-17,20-21H2,1-2H3
- InChI Key
- HAKMAMKAFTZXOZ-UHFFFAOYSA-N
- Formula
- C22H39O3P
- SMILES
-
CCCCCCCCOP(=O)(OCCCCCCCC)c1ccc
cc1 - Molecular Weight1
- 382.52
- CAS
- 1754-47-8
- Other Names
-
- di-n-Octyl phenylphosphonate
- Phosphonic acid, phenyl-, dioctyl ester
- Benzenephosphonic acid, dioctyl ester
- Phenylphosphonic acid dioctyl ester
- 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 | 0.9984 | Relay (1.0) Calculated Property | |
| ΔfG° | -139.59 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -750.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 115.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.259 | Crippen Calculated Property | |
| McVol | 335.150 | ml/mol | McGowan Calculated Property |
| Pc | 1097.72 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 664.17 | K | Relay (1.0) Calculated Property |
| Tc | 850.60 | K | Relay (1.0) Calculated Property |
| Tfus | 275.99 | K | Relay (1.0) Calculated Property |
| Vc | 1.265 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Dioctyl phenylphosphonate.
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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