- InChI
- InChI=1S/C22H39O3P/c1-3-5-7-8-9-10-11-12-13-17-21-25-26(23,24-20-6-4-2)22-18-15-14-16-19-22/h14-16,18-19H,3-13,17,20-21H2,1-2H3
- InChI Key
- XQDRHBJCMWPCLO-UHFFFAOYSA-N
- Formula
- C22H39O3P
- SMILES
-
CCCCCCCCCCCCOP(=O)(OCCCC)c1ccc
cc1 - 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 | 0.9981 | Relay (1.0) Calculated Property | |
| ΔfG° | -140.84 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -752.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 117.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.259 | Crippen Calculated Property | |
| McVol | 335.150 | ml/mol | McGowan Calculated Property |
| Pc | 1065.90 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2697.00; 2697.00] |
|
|
| Inp | 2697.00 | NIST | |
| Inp | 2697.00 | NIST | |
| Tboil | 663.58 | K | Relay (1.0) Calculated Property |
| Tc | 852.37 | K | Relay (1.0) Calculated Property |
| Tfus | 269.57 | K | Relay (1.0) Calculated Property |
| Vc | 1.266 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Phenylphosphonic acid, butyl dodecyl 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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