- InChI
- InChI=1S/C16H35O3P/c1-13(9-15(3,4)5)11-18-20(17)19-12-14(2)10-16(6,7)8/h13-14,20H,9-12H2,1-8H3
- InChI Key
- OFOUIYGUOUTLLP-UHFFFAOYSA-N
- Formula
- C16H35O3P
- SMILES
-
CC(CO[PH](=O)OCC(C)CC(C)(C)C)C
C(C)(C)C - Molecular Weight1
- 306.42
- CAS
- 79373-12-9
- 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 | 0.6837 | Relay (1.0) Calculated Property | |
| ΔfG° | -253.15 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -925.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 80.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.554 | Crippen Calculated Property | |
| McVol | 274.370 | ml/mol | McGowan Calculated Property |
| Pc | 1428.30 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 608.04 | K | Relay (1.0) Calculated Property |
| Tc | 738.28 | K | Relay (1.0) Calculated Property |
| Tfus | 280.20 | K | Relay (1.0) Calculated Property |
| Vc | 1.016 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Phosphonic acid, di-isooctyl 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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