- InChI
- InChI=1S/C11H17O4P/c1-4-13-16(12,14-5-2)15-11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3
- InChI Key
- UBSNERLLCAIDQQ-UHFFFAOYSA-N
- Formula
- C11H17O4P
- SMILES
- CCOP(=O)(OCC)Oc1ccc(C)cc1
- Molecular Weight1
- 244.22
- CAS
- 4877-08-1
- 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.
- I : 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 | 0.6164 | Relay (1.0) Calculated Property | |
| ΔfG° | -342.98 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -715.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 79.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.555 | Crippen Calculated Property | |
| McVol | 186.030 | ml/mol | McGowan Calculated Property |
| Pc | 2069.14 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1617.00; 1617.00] |
|
|
| Inp | 1617.00 | NIST | |
| Inp | 1617.00 | NIST | |
| I | [2310.00; 2310.00] |
|
|
| I | 2310.00 | NIST | |
| I | 2310.00 | NIST | |
| Tboil | 573.62 | K | Relay (1.0) Calculated Property |
| Tc | 746.11 | K | Relay (1.0) Calculated Property |
| Tfus | 254.66 | K | Relay (1.0) Calculated Property |
| Vc | 0.705 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Diethyl 4-methylphenyl phosphate.
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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