- InChI
- InChI=1S/C8H19O4P/c1-2-3-4-5-6-7-8-12-13(9,10)11/h2-8H2,1H3,(H2,9,10,11)
- InChI Key
- WRKCIHRWQZQBOL-UHFFFAOYSA-N
- Formula
- C8H19O4P
- SMILES
- CCCCCCCCOP(=O)(O)O
- Molecular Weight1
- 210.21
- CAS
- 3991-73-9
- Other Names
-
- octyl dihydrogen phosphate
- 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 | 1.0035 | Relay (1.0) Calculated Property | |
| ΔfG° | -487.99 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -906.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 101.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.456 | Crippen Calculated Property | |
| McVol | 167.520 | ml/mol | McGowan Calculated Property |
| Pc | 2187.76 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 543.58 | K | Relay (1.0) Calculated Property |
| Tc | 746.77 | K | Relay (1.0) Calculated Property |
| Tfus | 297.82 | K | Relay (1.0) Calculated Property |
| Vc | 0.652 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Mono-octyl 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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