- InChI
- InChI=1S/C9H18FO2P/c1-8(2)13(10,11)12-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
- InChI Key
- BSSKRMAEPPGXAO-UHFFFAOYSA-N
- Formula
- C9H18FO2P
- SMILES
- CC(C)P(=O)(F)OC1CCCCC1
- Molecular Weight1
- 208.21
- CAS
- 333416-55-0
- Other Names
-
- Cyclohexyl isopropylphosphonofluoridate
- 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 | 0.4543 | Relay (... Calculated Property | |
| ΔfG° | -353.47 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -764.50 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 62.93 | kJ/mol | Relay (... Calculated Property |
| IE | 9.66 | eV | Relay (... Calculated Property |
| log10WS | -2.22 | Relay (... Calculated Property | |
| logPoct/wat | 3.907 | Crippen Calculated Property | |
| McVol | 160.780 | ml/mol | McGowan Calculated Property |
| Pc | 2395.55 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1357.00; 1357.00] |
|
|
| Inp | 1357.00 | NIST | |
| Inp | 1357.00 | NIST | |
| Tboil | 519.30 | K | Relay (... Calculated Property |
| Tc | 704.91 | K | Relay (... Calculated Property |
| Tfus | 228.48 | K | Relay (... Calculated Property |
| Vc | 0.587 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Phosphonofluoridic acid, (1-methylethyl)-, cyclohexyl ester.
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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