- InChI
- InChI=1S/C22H39O3P/c1-5-9-16-20(14-7-3)24-26(23,22-18-12-11-13-19-22)25-21(15-8-4)17-10-6-2/h11-13,18-21H,5-10,14-17H2,1-4H3
- InChI Key
- QLRPJUNZXPDZCW-UHFFFAOYSA-N
- Formula
- C22H39O3P
- SMILES
-
CCCCC(CCC)OP(=O)(OC(CCC)CCCC)c
1ccccc1 - Molecular Weight1
- 382.52
- 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.
- 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 | 0.8893 | Relay (1.0) Calculated Property | |
| ΔfG° | -174.14 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -762.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 109.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.256 | Crippen Calculated Property | |
| McVol | 335.150 | ml/mol | McGowan Calculated Property |
| Pc | 1118.88 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2274.00; 2274.00] |
|
|
| Inp | 2274.00 | NIST | |
| Inp | 2274.00 | NIST | |
| Tboil | 646.56 | K | Relay (1.0) Calculated Property |
| Tc | 833.37 | K | Relay (1.0) Calculated Property |
| Tfus | 240.32 | K | Relay (1.0) Calculated Property |
| Vc | 1.237 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Phenylphosphonic acid, di(4-octyl) ester.
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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