- InChI
- InChI=1S/C28H51O3P/c1-6-7-8-9-10-11-12-13-14-15-16-20-23-30-32(29,27-21-18-17-19-22-27)31-25-26(2)24-28(3,4)5/h17-19,21-22,26H,6-16,20,23-25H2,1-5H3
- InChI Key
- VFZGYNQLDKCMFR-UHFFFAOYSA-N
- Formula
- C28H51O3P
- SMILES
-
CCCCCCCCCCCCCCOP(=O)(OCC(C)CC(
C)(C)C)c1ccccc1 - Molecular Weight1
- 466.68
- 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 | 1.1039 | Relay (1.0) Calculated Property | |
| ΔfG° | -96.00 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -899.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 130.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.312 | Crippen Calculated Property | |
| McVol | 419.690 | ml/mol | McGowan Calculated Property |
| Pc | 408.30 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 3087.00 | NIST | |
| Tboil | 706.44 | K | Relay (1.0) Calculated Property |
| Tc | 894.96 | K | Relay (1.0) Calculated Property |
| Tfus | 285.63 | K | Relay (1.0) Calculated Property |
| Vc | 1.569 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Phenylphosphonic acid, 2,4,4-trimethylpentyl tetradecyl 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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