- InChI
- InChI=1S/C23H41O3P/c1-3-5-7-8-9-10-11-12-13-14-18-22-26-27(24,25-21-6-4-2)23-19-16-15-17-20-23/h15-17,19-20H,3-14,18,21-22H2,1-2H3
- InChI Key
- WCPFZFHNVDIBGS-UHFFFAOYSA-N
- Formula
- C23H41O3P
- SMILES
-
CCCCCCCCCCCCCOP(=O)(OCCCC)c1cc
ccc1 - Molecular Weight1
- 396.54
- 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 | 1.0338 | Relay (1.0) Calculated Property | |
| ΔfG° | -132.54 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -773.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 122.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.649 | Crippen Calculated Property | |
| McVol | 349.240 | ml/mol | McGowan Calculated Property |
| Pc | 980.26 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2778.00; 2778.00] |
|
|
| Inp | 2778.00 | NIST | |
| Inp | 2778.00 | NIST | |
| Tboil | 670.30 | K | Relay (1.0) Calculated Property |
| Tc | 859.65 | K | Relay (1.0) Calculated Property |
| Tfus | 273.79 | K | Relay (1.0) Calculated Property |
| Vc | 1.321 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Phenylphosphonic acid, butyl tridecyl 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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