- InChI
- InChI=1S/C5H12FO2P/c1-3-4-5-8-9(2,6)7/h3-5H2,1-2H3
- InChI Key
- DPBYNDKWLKHTAK-UHFFFAOYSA-N
- Formula
- C5H12FO2P
- SMILES
- CCCCOP(C)(=O)F
- Molecular Weight1
- 154.12
- CAS
- 352-63-6
- Other Names
-
- Butyl methylphosphonofluoridate
- Methylphoshonic acid, fluoroanhydride-, butyl ester
- Phosphonofluoridic acid, methyl-, butyl 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 | 0.4437 | Relay (1.0) Calculated Property | |
| ΔfG° | -428.68 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -721.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 50.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.595 | Crippen Calculated Property | |
| McVol | 115.280 | ml/mol | McGowan Calculated Property |
| Pc | 2875.73 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [971.00; 971.20] |
|
|
| Inp | 971.00 | NIST | |
| Inp | 971.20 | NIST | |
| Inp | 971.00 | NIST | |
| Inp | 971.00 | NIST | |
| Tboil | 449.75 | K | Relay (1.0) Calculated Property |
| Tc | 592.13 | K | Relay (1.0) Calculated Property |
| Tfus | 188.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.449 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to n-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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