- InChI
- InChI=1S/C15H11F3O3/c16-15(17,18)14(19)21-13-8-6-12(7-9-13)20-10-11-4-2-1-3-5-11/h1-9H,10H2
- InChI Key
- VHEJEDRBSSNSAB-UHFFFAOYSA-N
- Formula
- C15H11F3O3
- SMILES
-
O=C(Oc1ccc(OCc2ccccc2)cc1)C(F)
(F)F - Molecular Weight1
- 296.24
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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 | 0.6320 | Relay (1.0) Calculated Property | |
| ΔfG° | -629.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -897.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.93 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.733 | Crippen Calculated Property | |
| McVol | 193.310 | ml/mol | McGowan Calculated Property |
| Pc | 2271.90 | kPa | Joback Calculated Property |
| Inp | 1700.00 | NIST | |
| Tboil | 583.46 | K | Relay (1.0) Calculated Property |
| Tc | 781.99 | K | Relay (1.0) Calculated Property |
| Tfus | 332.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.696 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [518.30; 584.26] | J/mol×K | [694.23; 911.73] | 
|
| Cp,gas | 518.30 | J/mol×K | 694.23 | Joback Calculated Property |
| Cp,gas | 531.83 | J/mol×K | 730.48 | Joback Calculated Property |
| Cp,gas | 544.28 | J/mol×K | 766.73 | Joback Calculated Property |
| Cp,gas | 555.70 | J/mol×K | 802.98 | Joback Calculated Property |
| Cp,gas | 566.14 | J/mol×K | 839.23 | Joback Calculated Property |
| Cp,gas | 575.65 | J/mol×K | 875.48 | Joback Calculated Property |
| Cp,gas | 584.26 | J/mol×K | 911.73 | Joback Calculated Property |
Similar Compounds
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Sources
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