- InChI
- InChI=1S/C8H16FO2P/c1-7-5-3-4-6-8(7)11-12(2,9)10/h7-8H,3-6H2,1-2H3
- InChI Key
- YBZCCTLVJWWETH-UHFFFAOYSA-N
- Formula
- C8H16FO2P
- SMILES
- CC1CCCCC1OP(C)(=O)F
- Molecular Weight1
- 194.18
- CAS
- 85473-32-1
- Other Names
-
- 2-Methylcyclohexyl methylphosphonofluoridate
- Phosphonofluoridic acid, 2-methylcyclohexyl ester
- Methylphosphonic acid, fluoroanhydride, 2-methylcyclohexyl ester
- 2-methylcyclohexyl methylphosphonofluorid
- 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 | 0.4243 | Relay (1.0) Calculated Property | |
| ΔfG° | -357.73 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -764.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 60.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.374 | Crippen Calculated Property | |
| McVol | 146.690 | ml/mol | McGowan Calculated Property |
| Pc | 2588.46 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1210.00; 1262.00] |
|
|
| Inp | 1210.00 | NIST | |
| Inp | 1212.00 | NIST | |
| Inp | 1260.00 | NIST | |
| Inp | 1262.00 | NIST | |
| Inp | 1210.20 | NIST | |
| Inp | 1211.70 | NIST | |
| Inp | 1256.70 | NIST | |
| Inp | 1258.50 | NIST | |
| Inp | 1261.70 | NIST | |
| Inp | 1262.00 | NIST | |
| Inp | 1260.00 | NIST | |
| Inp | 1262.00 | NIST | |
| Inp | 1211.00 | NIST | |
| Inp | 1210.00 | NIST | |
| Inp | 1211.70 | NIST | |
| Inp | 1262.00 | NIST | |
| Inp | 1261.70 | NIST | |
| I | [1784.60; 1790.20] |
|
|
| I | 1784.60 | NIST | |
| I | 1790.20 | NIST | |
| I | 1784.60 | NIST | |
| Tboil | 502.39 | K | Relay (1.0) Calculated Property |
| Tc | 679.75 | K | Relay (1.0) Calculated Property |
| Tfus | 226.81 | K | Relay (1.0) Calculated Property |
| Vc | 0.533 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methylcyclosarin.
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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