- InChI
- InChI=1S/C13H7F10NO4/c1-27-6-3-2-5(24-8(25)10(14,15)12(18,19)20)4-7(6)28-9(26)11(16,17)13(21,22)23/h2-4H,1H3,(H,24,25)
- InChI Key
- NLAFAKCFLVJABJ-UHFFFAOYSA-N
- Formula
- C13H7F10NO4
- SMILES
-
COc1ccc(N=C(O)C(F)(F)C(F)(F)F)
cc1OC(=O)C(F)(F)C(F)(F)F - Molecular Weight1
- 431.18
- 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 | 0.8674 | Relay (1.0) Calculated Property | |
| ΔfG° | -2142.37 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -2657.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 97.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.71 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.584 | Crippen Calculated Property | |
| McVol | 212.830 | ml/mol | McGowan Calculated Property |
| Pc | 1577.21 | kPa | Joback Calculated Property |
| Inp | [1468.00; 1468.00] |
|
|
| Inp | 1468.00 | NIST | |
| Inp | 1468.00 | NIST | |
| Tboil | 549.94 | K | Relay (1.0) Calculated Property |
| Tc | 720.73 | K | Relay (1.0) Calculated Property |
| Tfus | 391.65 | K | Relay (1.0) Calculated Property |
| Vc | 0.793 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 5-Amino-2-methoxyphenol, O,N-bis(pentafluoropropionyl)-.
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
- Joback Method
- McGowan Method
- NIST Webbook
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