- InChI
- InChI=1S/C22H15F5O5/c1-12(28)11-15(13-7-3-2-4-8-13)17-18(32-20(30)21(23,24)22(25,26)27)14-9-5-6-10-16(14)31-19(17)29/h2-10,15H,11H2,1H3
- InChI Key
- VDGXHNJCRNROJR-UHFFFAOYSA-N
- Formula
- C22H15F5O5
- SMILES
-
CC(=O)CC(c1ccccc1)c1c(OC(=O)C(
F)(F)C(F)(F)F)c2ccccc2oc1=O - Molecular Weight1
- 454.34
- 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 | 0.8062 | Relay (1.0) Calculated Property | |
| ΔfG° | -1243.46 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1601.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 120.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.007 | Crippen Calculated Property | |
| McVol | 283.460 | ml/mol | McGowan Calculated Property |
| Pc | 1158.50 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2379.00; 2379.00] |
|
|
| Inp | 2379.00 | NIST | |
| Inp | 2379.00 | NIST | |
| Tboil | 703.32 | K | Relay (1.0) Calculated Property |
| Tc | 931.29 | K | Relay (1.0) Calculated Property |
| Tfus | 371.96 | K | Relay (1.0) Calculated Property |
| Vc | 1.006 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Warfarin, pentafluoropropionate.
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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