- InChI
- InChI=1S/C13H27O5P/c1-10(2)7-17-19(15,18-8-11(3)4)9-12(5)13(14)16-6/h10-12H,7-9H2,1-6H3
- InChI Key
- QZZBQOSHOLMNCH-UHFFFAOYSA-N
- Formula
- C13H27O5P
- SMILES
-
COC(=O)C(C)CP(=O)(OCC(C)C)OCC(
C)C - Molecular Weight1
- 294.32
- CAS
- 116595-32-5
- 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 | 0.6906 | Relay (... Calculated Property | |
| ΔfG° | -517.78 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1121.02 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 78.84 | kJ/mol | Relay (... Calculated Property |
| IE | 9.44 | eV | Relay (... Calculated Property |
| log10WS | -2.38 | Relay (... Calculated Property | |
| logPoct/wat | 3.334 | Crippen Calculated Property | |
| McVol | 239.540 | ml/mol | McGowan Calculated Property |
| Pc | 1570.48 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 561.99 | K | Relay (... Calculated Property |
| Tc | 719.89 | K | Relay (... Calculated Property |
| Tfus | 246.87 | K | Relay (... Calculated Property |
| Vc | 0.892 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Isobutyric acid, 3-diisobutoxy-phosphinyl-, methyl 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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