- InChI
- InChI=1S/C13H13O3P/c1-17(14,15-12-8-4-2-5-9-12)16-13-10-6-3-7-11-13/h2-11H,1H3
- InChI Key
- HPUPGAFDTWIMBR-UHFFFAOYSA-N
- Formula
- C13H13O3P
- SMILES
- CP(=O)(Oc1ccccc1)Oc1ccccc1
- Molecular Weight1
- 248.21
- CAS
- 7526-26-3
- Other Names
-
- diphenyl methylphosphonate
- 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 | 0.5873 | Relay (1.0) Calculated Property | |
| ΔfG° | -114.86 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -354.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 88.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.967 | Crippen Calculated Property | |
| McVol | 184.580 | ml/mol | McGowan Calculated Property |
| Pc | 2451.22 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 607.05 | K | Relay (1.0) Calculated Property |
| Tc | 849.68 | K | Relay (1.0) Calculated Property |
| Tfus | 339.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.692 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Phosphonic acid, methyl-, diphenyl 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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