- InChI
- InChI=1S/C9H3F9/c10-7(11,12)4-1-5(8(13,14)15)3-6(2-4)9(16,17)18/h1-3H
- InChI Key
- ZMAUHKSOLPYPDB-UHFFFAOYSA-N
- Formula
- C9H3F9
- SMILES
-
FC(F)(F)c1cc(C(F)(F)F)cc(C(F)(
F)F)c1 - Molecular Weight1
- 282.11
- CAS
- 729-81-7
- 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 | 0.4546 | Relay (1.0) Calculated Property | |
| ΔfG° | -1626.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1852.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.743 | Crippen Calculated Property | |
| McVol | 129.840 | ml/mol | McGowan Calculated Property |
| Pc | 2206.22 | kPa | Joback Calculated Property |
| Tboil | 391.50 ± 0.50 | K | NIST |
| Tc | 623.64 | K | Relay (1.0) Calculated Property |
| Tfus | 405.51 | K | Relay (1.0) Calculated Property |
| Vc | 0.537 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [298.15; 356.36] | J/mol×K | [425.70; 583.33] | 
|
| Cp,gas | 298.15 | J/mol×K | 425.70 | Joback Calculated Property |
| Cp,gas | 309.69 | J/mol×K | 451.97 | Joback Calculated Property |
| Cp,gas | 320.44 | J/mol×K | 478.24 | Joback Calculated Property |
| Cp,gas | 330.45 | J/mol×K | 504.51 | Joback Calculated Property |
| Cp,gas | 339.75 | J/mol×K | 530.78 | Joback Calculated Property |
| Cp,gas | 348.37 | J/mol×K | 557.05 | Joback Calculated Property |
| Cp,gas | 356.36 | J/mol×K | 583.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3,5-Tris(trifluoromethyl)benzene.
Sources
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