- InChI
- InChI=1S/C14H11F3O/c15-14(16,17)12-8-6-11(7-9-12)13(18)10-4-2-1-3-5-10/h1-9,13,18H
- InChI Key
- LIZDGCXCDJOWBS-UHFFFAOYSA-N
- Formula
- C14H11F3O
- SMILES
- OC(c1ccccc1)c1ccc(C(F)(F)F)cc1
- Molecular Weight1
- 252.23
- CAS
- 395-23-3
- 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).
- 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 | 0.6325 | Relay (... Calculated Property | |
| ΔfG° | -438.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -667.64 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 22.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.37 | kJ/mol | Relay (... Calculated Property |
| IE | 9.19 | eV | Relay (... Calculated Property |
| log10WS | -2.87 | Relay (... Calculated Property | |
| logPoct/wat | 3.787 | Crippen Calculated Property | |
| McVol | 171.780 | ml/mol | McGowan Calculated Property |
| Pc | 2681.86 | kPa | Joback Calculated Property |
| Tboil | 522.82 | K | Relay (... Calculated Property |
| Tc | 807.55 | K | Relay (... Calculated Property |
| Tfus | 355.64 | K | Relay (... Calculated Property |
| Vc | 0.624 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [455.41; 517.38] | J/mol×K | [664.38; 872.53] | 
|
| Cp,gas | 455.41 | J/mol×K | 664.38 | Joback Calculated Property |
| Cp,gas | 467.92 | J/mol×K | 699.07 | Joback Calculated Property |
| Cp,gas | 479.47 | J/mol×K | 733.76 | Joback Calculated Property |
| Cp,gas | 490.12 | J/mol×K | 768.46 | Joback Calculated Property |
| Cp,gas | 499.94 | J/mol×K | 803.15 | Joback Calculated Property |
| Cp,gas | 509.00 | J/mol×K | 837.84 | Joback Calculated Property |
| Cp,gas | 517.38 | J/mol×K | 872.53 | Joback Calculated Property |
Similar Compounds
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Sources
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