- InChI
- InChI=1S/C16H27O3P/c1-6-18-20(17,15-10-8-7-9-11-15)19-13-14(2)12-16(3,4)5/h7-11,14H,6,12-13H2,1-5H3
- InChI Key
- FSTIMRJMCAAVFR-UHFFFAOYSA-N
- Formula
- C16H27O3P
- SMILES
-
CCOP(=O)(OCC(C)CC(C)(C)C)c1ccc
cc1 - Molecular Weight1
- 298.36
- 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.
- 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 | 0.6328 | Relay (1.0) Calculated Property | |
| ΔfG° | -180.48 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -655.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 87.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.630 | Crippen Calculated Property | |
| McVol | 250.610 | ml/mol | McGowan Calculated Property |
| Pc | 1444.36 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1933.00; 1933.00] |
|
|
| Inp | 1933.00 | NIST | |
| Inp | 1933.00 | NIST | |
| Tboil | 616.21 | K | Relay (1.0) Calculated Property |
| Tc | 787.19 | K | Relay (1.0) Calculated Property |
| Tfus | 273.70 | K | Relay (1.0) Calculated Property |
| Vc | 0.910 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Phenylphosphonic acid, 2,4,4-trimethylpentyl ethyl 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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