- InChI
- InChI=1S/C14H10F5NO4/c1-24-11(22)4-7-6-20(10-3-2-8(21)5-9(7)10)12(23)13(15,16)14(17,18)19/h2-3,5-6,21H,4H2,1H3
- InChI Key
- ZONBYMAMSQKAJQ-UHFFFAOYSA-N
- Formula
- C14H10F5NO4
- SMILES
-
COC(=O)Cc1cn(C(=O)C(F)(F)C(F)(
F)F)c2ccc(O)cc12 - Molecular Weight1
- 351.23
- 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 | 0.8263 | Relay (1.0) Calculated Property | |
| ΔfG° | -1214.45 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1626.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 104.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.900 | Crippen Calculated Property | |
| McVol | 202.910 | ml/mol | McGowan Calculated Property |
| Pc | 1877.72 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1935.00; 1935.00] |
|
|
| Inp | 1935.00 | NIST | |
| Inp | 1935.00 | NIST | |
| Tboil | 623.78 | K | Relay (1.0) Calculated Property |
| Tc | 838.99 | K | Relay (1.0) Calculated Property |
| Tfus | 373.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.731 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 5-Hydroxyindoleacetic acid, methyl, 1-PFP.
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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