- 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
- 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.
- I : 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 | 0.4230 | Relay (1.0) Calculated Property | |
| ΔfG° | -405.45 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -795.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 52.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.230 | Crippen Calculated Property | |
| McVol | 143.460 | ml/mol | McGowan Calculated Property |
| Pc | 2485.68 | kPa | Relay (1.0-beta) 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 | |
| Tboil | 458.37 | K | Relay (1.0) Calculated Property |
| Tc | 609.58 | K | Relay (1.0) Calculated Property |
| Tfus | 260.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.524 | m3/kmol | Relay (1.0) Calculated Property |
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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