- InChI
- InChI=1S/C9H21O2PSe/c1-4-6-8-10-12(3,13)11-9-7-5-2/h4-9H2,1-3H3
- InChI Key
- NAIJSLVMOKMOJW-UHFFFAOYSA-N
- Formula
- C9H21O2PSe
- SMILES
- CCCCOP(C)(=[Se])OCCCC
- Molecular Weight1
- 271.20
- 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.
- 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 | 0.5718 | Relay (1.0) Calculated Property | |
| ΔfG° | -238.38 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -543.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 71.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.181 | Crippen Calculated Property | |
| Pc | 2085.76 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 536.30 | K | Relay (1.0) Calculated Property |
| Tc | 742.82 | K | Relay (1.0) Calculated Property |
| Tfus | 206.09 | K | Relay (1.0) Calculated Property |
| Vc | 0.702 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Methylphosphonoselenoic acid, o,o-dibutyl 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
- NIST Webbook
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