- InChI
- InChI=1S/C11H25O2PS/c1-10(2)6-8-12-14(5,15)13-9-7-11(3)4/h10-11H,6-9H2,1-5H3
- InChI Key
- PVRVKPPBPIIWRC-UHFFFAOYSA-N
- Formula
- C11H25O2PS
- SMILES
- CC(C)CCOP(C)(=S)OCCC(C)C
- Molecular Weight1
- 252.35
- CAS
- 91964-74-8
- 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 | 0.5442 | Relay (1.0) Calculated Property | |
| ΔfG° | -179.46 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -569.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 76.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.051 | Crippen Calculated Property | |
| McVol | 214.400 | ml/mol | McGowan Calculated Property |
| Pc | 1861.96 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 554.81 | K | Relay (1.0) Calculated Property |
| Tc | 713.36 | K | Relay (1.0) Calculated Property |
| Tfus | 215.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.786 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Phosphonothioic acid, methyl-, o,o-diisopentyl 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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