- InChI
- InChI=1S/C13H29O4P/c1-12(2)8-6-5-7-10-16-18(14,15)17-11-9-13(3)4/h12-13H,5-11H2,1-4H3,(H,14,15)
- InChI Key
- RPXNGPMIXAZAKB-UHFFFAOYSA-N
- Formula
- C13H29O4P
- SMILES
- CC(C)CCCCCOP(=O)(O)OCCC(C)C
- Molecular Weight1
- 280.34
- 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 | 0.9267 | Relay (1.0) Calculated Property | |
| ΔfG° | -426.10 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1041.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 101.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.383 | Crippen Calculated Property | |
| McVol | 237.970 | ml/mol | McGowan Calculated Property |
| Pc | 1541.65 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 585.69 | K | Relay (1.0) Calculated Property |
| Tc | 751.15 | K | Relay (1.0) Calculated Property |
| Tfus | 247.04 | K | Relay (1.0) Calculated Property |
| Vc | 0.908 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Phosphoric acid, isoamyl-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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