- InChI
- InChI=1S/C11H25O3P/c1-9(2)8-13-15(7,12)14-10(3)11(4,5)6/h9-10H,8H2,1-7H3
- InChI Key
- NVIZGQRWMJYKRE-UHFFFAOYSA-N
- Formula
- C11H25O3P
- SMILES
- CC(C)COP(C)(=O)OC(C)C(C)(C)C
- Molecular Weight1
- 236.29
- 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 | 0.5437 | Relay (1.0) Calculated Property | |
| ΔfG° | -318.50 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -812.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 67.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.933 | Crippen Calculated Property | |
| McVol | 203.920 | ml/mol | McGowan Calculated Property |
| Pc | 1889.56 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 526.95 | K | Relay (1.0) Calculated Property |
| Tc | 670.85 | K | Relay (1.0) Calculated Property |
| Tfus | 249.30 | K | Relay (1.0) Calculated Property |
| Vc | 0.765 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Methylphosphonic acid, isobutyl pinacolyl 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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