- InChI
- InChI=1S/C7H3F7N2O/c8-5(9,6(10,11)7(12,13)14)4(17)16-2-1-15-3-16/h1-3H
- InChI Key
- MSYHGYDAVLDKCE-UHFFFAOYSA-N
- Formula
- C7H3F7N2O
- SMILES
-
O=C(n1ccnc1)C(F)(F)C(F)(F)C(F)
(F)F - Molecular Weight1
- 264.10
- CAS
- 32477-35-3
- Other Names
-
- Heptafluorobutyrylimidazole
- 1-Heptafluorobutyrylimidazole
- N-(Heptafluoro-n-butyryl)imidazole
- 1H-Imidazole, 1-(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)-
- 1-(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)-1H-imidazole
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.4704 | Relay (1.0) Calculated Property | |
| ΔfG° | -1303.58 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1493.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 65.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.356 | Crippen Calculated Property | |
| McVol | 123.950 | ml/mol | McGowan Calculated Property |
| Pc | 2391.69 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 455.26 | K | Relay (1.0) Calculated Property |
| Tc | 622.28 | K | Relay (1.0) Calculated Property |
| Tfus | 274.94 | K | Relay (1.0) Calculated Property |
| Vc | 0.472 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 330.00 ± 1.00 | K | 1.60 | NIST |
Similar Compounds
Find more compounds similar to n-Heptafluorobutyrylimidazole.
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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