- InChI
- InChI=1S/C14H23O3P/c1-12(2)10-16-18(15,17-11-13(3)4)14-8-6-5-7-9-14/h5-9,12-13H,10-11H2,1-4H3
- InChI Key
- PGYHLMXGZNLMIK-UHFFFAOYSA-N
- Formula
- C14H23O3P
- SMILES
- CC(C)COP(=O)(OCC(C)C)c1ccccc1
- Molecular Weight1
- 270.30
- CAS
- 64470-42-4
- 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 | 0.6349 | Relay (1.0) Calculated Property | |
| ΔfG° | -209.94 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -605.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 82.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.850 | Crippen Calculated Property | |
| McVol | 222.430 | ml/mol | McGowan Calculated Property |
| Pc | 1733.40 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 594.59 | K | Relay (1.0) Calculated Property |
| Tc | 770.39 | K | Relay (1.0) Calculated Property |
| Tfus | 260.90 | K | Relay (1.0) Calculated Property |
| Vc | 0.826 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Phosphonic acid, phenyl-, di-isobutyl 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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