- InChI
- InChI=1S/C13H29O3P/c1-10(12(3,4)5)15-17(9,14)16-11(2)13(6,7)8/h10-11H,1-9H3
- InChI Key
- XSQAITMTGIQAHD-UHFFFAOYSA-N
- Formula
- C13H29O3P
- SMILES
-
CC(OP(C)(=O)OC(C)C(C)(C)C)C(C)
(C)C - Molecular Weight1
- 264.34
- CAS
- 7040-58-6
- Other Names
-
- Phosphonic acid, methyl-, bis(1,2,2-trimethylpropyl) ester
- Methylphosphonic acid, bis(1,2,2-trimethylpropyl) ester
- Dipinacolyl methylphosphonate
- Methylphosphonic acid, dipinacolyl ester
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.5571 | Relay (... Calculated Property | |
| ΔfG° | -309.51 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -861.82 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 70.64 | kJ/mol | Relay (... Calculated Property |
| IE | 9.46 | eV | Relay (... Calculated Property |
| log10WS | -3.69 | Relay (... Calculated Property | |
| logPoct/wat | 4.712 | Crippen Calculated Property | |
| McVol | 232.100 | ml/mol | McGowan Calculated Property |
| Pc | 1829.32 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1501.00; 1501.00] |
|
|
| Inp | 1501.00 | NIST | |
| Inp | 1501.00 | NIST | |
| Inp | 1501.00 | NIST | |
| Tboil | 535.79 | K | Relay (... Calculated Property |
| Tc | 695.67 | K | Relay (... Calculated Property |
| Tfus | 318.96 | K | Relay (... Calculated Property |
| Vc | 0.883 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Bis(1,2,2-trimethylpropyl) methylphosphonate.
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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