- InChI
- InChI=1S/C11H15O4P/c1-11(2)8-13-16(12,14-9-11)15-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
- InChI Key
- VSKVZTVOVPEFOH-UHFFFAOYSA-N
- Formula
- C11H15O4P
- SMILES
- CC1(C)COP(=O)(Oc2ccccc2)OC1
- Molecular Weight1
- 242.21
- CAS
- 884-89-9
- Other Names
-
- Phosphoric acid, cyclic 2,2-dimethyltrimethylene phenyl ester
- Cyclic 2,2-dimethyltrimethylene phenyl phosphate
- Phosphoric acid, phenyl (cyclic 2,2-dimethyltrimethylene) ester
- 1,3-Propanediol, 2,2-dimethyl-, cyclic phenyl phosphate
- 5,5-dimethyl-2-phenoxy-1,3,2-dioxaphosphorinane 2-oxide
- 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 | 0.4960 | Relay (... Calculated Property | |
| ΔfG° | -308.30 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -695.05 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 81.51 | kJ/mol | Relay (... Calculated Property |
| IE | 9.00 | eV | NIST |
| log10WS | -2.47 | Relay (... Calculated Property | |
| logPoct/wat | 3.247 | Crippen Calculated Property | |
| McVol | 175.170 | ml/mol | McGowan Calculated Property |
| Pc | 2265.28 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 599.47 | K | Relay (... Calculated Property |
| Tc | 796.33 | K | Relay (... Calculated Property |
| Tfus | 364.34 | K | Relay (... Calculated Property |
| Vc | 0.665 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 1,3,2-Dioxaphosphorinane, 5,5-dimethyl-2-phenoxy-, 2-oxide.
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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