- InChI
- InChI=1S/C14H7F3/c15-10-4-3-8-1-2-9-5-11(16)7-13(17)14(9)12(8)6-10/h1-7H
- InChI Key
- MOWMOCXMCHFRQY-UHFFFAOYSA-N
- Formula
- C14H7F3
- SMILES
- Fc1cc(F)c2c(ccc3ccc(F)cc32)c1
- Molecular Weight1
- 232.20
- 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.
- I : 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 | 0.4904 | Relay (1.0) Calculated Property | |
| ΔfG° | -230.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -302.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.410 | Crippen Calculated Property | |
| McVol | 150.750 | ml/mol | McGowan Calculated Property |
| Pc | 2668.02 | kPa | Joback Calculated Property |
| Inp | [288.87; 1687.00] |
|
|
| Inp | 1687.00 | NIST | |
| Inp | 1679.00 | NIST | |
| Inp | 288.88 | NIST | |
| Inp | 288.87 | NIST | |
| Inp | 1687.00 | NIST | |
| Inp | 288.88 | NIST | |
| I | [280.76; 280.76] |
|
|
| I | 280.76 | NIST | |
| I | 280.76 | NIST | |
| Tboil | 606.72 | K | Relay (1.0) Calculated Property |
| Tc | 875.40 | K | Relay (1.0) Calculated Property |
| Tfus | 352.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.587 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [356.26; 416.09] | J/mol×K | [602.09; 822.85] |
|
| Cp,gas | 356.26 | J/mol×K | 602.09 | Joback Calculated Property |
| Cp,gas | 368.17 | J/mol×K | 638.88 | Joback Calculated Property |
| Cp,gas | 379.20 | J/mol×K | 675.68 | Joback Calculated Property |
| Cp,gas | 389.43 | J/mol×K | 712.47 | Joback Calculated Property |
| Cp,gas | 398.94 | J/mol×K | 749.26 | Joback Calculated Property |
| Cp,gas | 407.80 | J/mol×K | 786.05 | Joback Calculated Property |
| Cp,gas | 416.09 | J/mol×K | 822.85 | Joback Calculated Property |
Similar Compounds
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Sources
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