- InChI
- InChI=1S/C15H25O3P/c1-3-5-6-10-14-18-19(16,17-13-4-2)15-11-8-7-9-12-15/h7-9,11-12H,3-6,10,13-14H2,1-2H3
- InChI Key
- UQUWMVKFBVMWMA-UHFFFAOYSA-N
- Formula
- C15H25O3P
- SMILES
- CCCCCCOP(=O)(OCCC)c1ccccc1
- Molecular Weight1
- 284.33
- 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 | 0.7310 | Relay (1.0) Calculated Property | |
| ΔfG° | -194.54 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -602.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 90.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.529 | Crippen Calculated Property | |
| McVol | 236.520 | ml/mol | McGowan Calculated Property |
| Pc | 1688.32 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1998.00; 1998.00] |
|
|
| Inp | 1998.00 | NIST | |
| Inp | 1998.00 | NIST | |
| Tboil | 611.30 | K | Relay (1.0) Calculated Property |
| Tc | 788.79 | K | Relay (1.0) Calculated Property |
| Tfus | 238.92 | K | Relay (1.0) Calculated Property |
| Vc | 0.882 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Phenylphosphonic acid, hexyl propyl 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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