![Aniline, o-[5-chloro-(2,2,3,3,4,4-hexafluoro-cyclopenten-1-yl)thio]-](/cid/116-776-2/Aniline-o-5-chloro-2-2-3-3-4-4-hexafluoro-cyclopenten-1-yl-thio.png "Aniline, o-[5-chloro-(2,2,3,3,4,4-hexafluoro-cyclopenten-1-yl)thio]-")
- InChI
- InChI=1S/C11H6ClF6NS/c12-7-8(20-6-4-2-1-3-5(6)19)10(15,16)11(17,18)9(7,13)14/h1-4H,19H2
- InChI Key
- PEGJNVBCOCWFKU-UHFFFAOYSA-N
- Formula
- C11H6ClF6NS
- SMILES
-
Nc1ccccc1SC1=C(Cl)C(F)(F)C(F)(
F)C1(F)F - Molecular Weight1
- 333.68
- CAS
- 116277-71-5
- 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 | 0.4662 | Relay (1.0) Calculated Property | |
| ΔfG° | -921.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1013.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.731 | Crippen Calculated Property | |
| McVol | 176.120 | ml/mol | McGowan Calculated Property |
| Pc | 2668.02 | kPa | Joback Calculated Property |
| Tboil | 545.12 | K | Relay (1.0) Calculated Property |
| Tc | 742.14 | K | Relay (1.0) Calculated Property |
| Tfus | 286.70 | K | Relay (1.0) Calculated Property |
| Vc | 0.604 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [447.98; 517.63] | J/mol×K | [672.88; 902.31] | 
|
| Cp,gas | 447.98 | J/mol×K | 672.88 | Joback Calculated Property |
| Cp,gas | 458.80 | J/mol×K | 711.12 | Joback Calculated Property |
| Cp,gas | 469.50 | J/mol×K | 749.36 | Joback Calculated Property |
| Cp,gas | 480.41 | J/mol×K | 787.59 | Joback Calculated Property |
| Cp,gas | 491.85 | J/mol×K | 825.83 | Joback Calculated Property |
| Cp,gas | 504.14 | J/mol×K | 864.07 | Joback Calculated Property |
| Cp,gas | 517.63 | J/mol×K | 902.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Aniline, o-[5-chloro-(2,2,3,3,4,4-hexafluoro-cyclopenten-1-yl)thio]-.
Sources
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