- InChI
- InChI=1S/C11H15O3P/c1-11(2)8-13-15(12,14-9-11)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
- InChI Key
- IBGSBHZFACCHSP-UHFFFAOYSA-N
- Formula
- C11H15O3P
- SMILES
- CC1(C)COP(=O)(c2ccccc2)OC1
- Molecular Weight1
- 226.21
- CAS
- 882-69-9
- 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 | 0.4299 | Relay (1.0) Calculated Property | |
| ΔfG° | -193.73 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -507.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 87.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.578 | Crippen Calculated Property | |
| McVol | 169.300 | ml/mol | McGowan Calculated Property |
| Pc | 2341.16 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 599.08 | K | Relay (1.0) Calculated Property |
| Tc | 788.30 | K | Relay (1.0) Calculated Property |
| Tfus | 427.13 | K | Relay (1.0) Calculated Property |
| Vc | 0.627 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Propanediol, 2,2-dimethyl-, cyclic phenyl phosphonate.
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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