- InChI
- InChI=1S/C12F18/c13-7(14,15)1-2(8(16,17)18)4(10(22,23)24)6(12(28,29)30)5(11(25,26)27)3(1)9(19,20)21
- InChI Key
- XJGMLRCIWIZTKI-UHFFFAOYSA-N
- Formula
- C12F18
- SMILES
-
FC(F)(F)c1c(C(F)(F)F)c(C(F)(F)
F)c(C(F)(F)F)c(C(F)(F)F)c1C(F) (F)F - Molecular Weight1
- 486.10
- CAS
- 2340-93-4
- Other Names
-
- Hexa[trifluoromethyl]benzene
- 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 | 0.6618 | Relay (1.0) Calculated Property | |
| ΔfG° | -3375.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3565.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.799 | Crippen Calculated Property | |
| McVol | 188.040 | ml/mol | McGowan Calculated Property |
| Pc | 1266.45 | kPa | Joback Calculated Property |
| Tboil | 420.79 | K | Relay (1.0) Calculated Property |
| Tc | 652.34 | K | Relay (1.0) Calculated Property |
| Tfus | 349.66 | K | Relay (1.0) Calculated Property |
| Vc | 0.830 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [513.94; 568.56] | J/mol×K | [493.02; 622.30] | 
|
| Cp,gas | 513.94 | J/mol×K | 493.02 | Joback Calculated Property |
| Cp,gas | 524.74 | J/mol×K | 514.57 | Joback Calculated Property |
| Cp,gas | 534.82 | J/mol×K | 536.11 | Joback Calculated Property |
| Cp,gas | 544.20 | J/mol×K | 557.66 | Joback Calculated Property |
| Cp,gas | 552.93 | J/mol×K | 579.21 | Joback Calculated Property |
| Cp,gas | 561.04 | J/mol×K | 600.76 | Joback Calculated Property |
| Cp,gas | 568.56 | J/mol×K | 622.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, hexakis(trifluoromethyl)-.
Sources
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