- InChI
- InChI=1S/C7H16FO2P/c1-6(7(2,3)4)10-11(5,8)9/h6H,1-5H3
- InChI Key
- GRXKLBBBQUKJJZ-UHFFFAOYSA-N
- Formula
- C7H16FO2P
- SMILES
- CC(OP(C)(=O)F)C(C)(C)C
- Molecular Weight1
- 182.17
- CAS
- 96-64-0
- Other Names
-
- Phosphonofluoridic acid, methyl-, 1,2,2-trimethylpropyl ester
- 1,2,2-Trimethylpropoxyfluorophosphine oxide
- O-Pinacolyl methylphosphonofluoridate
- GD
- Methyl pinacolyl phosphonofluoridate
- Methyl pinacolyloxy phosphorylfluoride
- Phosphine oxide, fluoromethyl(1,2,2-trimethylpropoxy)-
- Pinacoloxymethylphosphoryl fluoride
- Pinacolyl methylfluorophosphonate
- Pinacolyl methylphosphonofluoridate
- PMFP
- Zoman
- 1,2,2-Trimethylpropyl methylphosphonofluoridate
- 3,3-Dimethyl-n-but-2-yl methylphosphonofluoridate
- Methylphosphonofluoridic acid 1,2,2-trimethylpropyl ester
- Soman # 1
- Soman # 2
- Pinacolyl methylphosphonofluoridate, diastereomer # 1
- Pinacolyl methylphosphonofluoridate, diastereomer # 2
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| logPoct/wat | 3.230 | Crippen Calculated Property | |
| McVol | 143.460 | ml/mol | McGowan Calculated Property |
| Inp | [1008.00; 1049.30] |
|
|
| Inp | 1008.00 | NIST | |
| Inp | 1013.00 | NIST | |
| Inp | 1044.00 | NIST | |
| Inp | 1048.00 | NIST | |
| Inp | 1039.71 | NIST | |
| Inp | 1040.99 | NIST | |
| Inp | 1044.07 | NIST | |
| Inp | 1045.44 | NIST | |
| Inp | 1012.00 | NIST | |
| Inp | 1016.00 | NIST | |
| Inp | 1038.00 | NIST | |
| Inp | 1016.00 | NIST | |
| Inp | 1008.10 | NIST | |
| Inp | 1012.90 | NIST | |
| Inp | 1045.20 | NIST | |
| Inp | 1049.30 | NIST | |
| Inp | 1043.70 | NIST | |
| Inp | 1045.00 | NIST | |
| Inp | 1012.00 | NIST | |
| Inp | 1016.00 | NIST | |
| Inp | 1038.00 | NIST | |
| Inp | 1043.00 | NIST | |
| Inp | 1042.00 | NIST | |
| Inp | 1047.00 | NIST | |
| Inp | 1044.00 | NIST | |
| Inp | 1048.00 | NIST | |
| Inp | 1044.00 | NIST | |
| Inp | 1048.00 | NIST | |
| Inp | 1008.00 | NIST | |
| Inp | 1040.99 | NIST | |
| Inp | 1038.00 | NIST | |
| Inp | 1049.30 | NIST | |
| I | [1478.00; 1490.00] |
|
|
| I | 1478.00 | NIST | |
| I | 1490.00 | NIST | |
| I | 1478.00 | NIST |
Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Similar Compounds
Find more compounds similar to Soman.
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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