- InChI
- InChI=1S/C5H12FO2P/c1-4-5(2)8-9(3,6)7/h5H,4H2,1-3H3
- InChI Key
- INIUKZAEJHEEFF-UHFFFAOYSA-N
- Formula
- C5H12FO2P
- SMILES
- CCC(C)OP(C)(=O)F
- Molecular Weight1
- 154.12
- CAS
- 352-52-3
- Other Names
-
- Sec-butyl methylphosphonofluoridate
- S-Butyl methylphosphonofluoridate
- 1-Methylpropyl methylphosphonofluoridate
- 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 | 0.4163 | Relay (... Calculated Property | |
| ΔfG° | -433.15 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -746.22 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 46.85 | kJ/mol | Relay (... Calculated Property |
| IE | 10.31 | eV | Relay (... Calculated Property |
| log10WS | -0.85 | Relay (... Calculated Property | |
| logPoct/wat | 2.594 | Crippen Calculated Property | |
| McVol | 115.280 | ml/mol | McGowan Calculated Property |
| Pc | 2900.09 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [915.00; 918.00] |
|
|
| Inp | 915.00 | NIST | |
| Inp | 918.00 | NIST | |
| Inp | 917.90 | NIST | |
| Inp | 918.00 | NIST | |
| Inp | 915.00 | NIST | |
| Inp | 918.00 | NIST | |
| Inp | 918.00 | NIST | |
| Tboil | 433.34 | K | Relay (... Calculated Property |
| Tc | 569.44 | K | Relay (... Calculated Property |
| Tfus | 197.87 | K | Relay (... Calculated Property |
| Vc | 0.438 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butyl methylphosphonofluoridate.
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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