- InChI
- InChI=1S/C10H4Cl2F4O2S2/c11-9(13,14)7(17)19-5-1-2-6(4-3-5)20-8(18)10(12,15)16/h1-4H
- InChI Key
- QLEUVHCDAGEPOU-UHFFFAOYSA-N
- Formula
- C10H4Cl2F4O2S2
- SMILES
-
O=C(Sc1ccc(SC(=O)C(F)(F)Cl)cc1
)C(F)(F)Cl - Molecular Weight1
- 367.17
- 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.
- 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 | 0.3891 | Relay (1.0) Calculated Property | |
| ΔfG° | -852.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1055.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.587 | Crippen Calculated Property | |
| McVol | 195.400 | ml/mol | McGowan Calculated Property |
| Pc | 2718.33 | kPa | Joback Calculated Property |
| Inp | [1761.00; 1761.00] |
|
|
| Inp | 1761.00 | NIST | |
| Inp | 1761.00 | NIST | |
| Tboil | 548.33 | K | Relay (1.0) Calculated Property |
| Tc | 735.95 | K | Relay (1.0) Calculated Property |
| Tfus | 330.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.647 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [462.07; 494.03] | J/mol×K | [770.64; 1016.68] |
|
| Cp,gas | 462.07 | J/mol×K | 770.64 | Joback Calculated Property |
| Cp,gas | 469.47 | J/mol×K | 811.65 | Joback Calculated Property |
| Cp,gas | 475.92 | J/mol×K | 852.65 | Joback Calculated Property |
| Cp,gas | 481.51 | J/mol×K | 893.66 | Joback Calculated Property |
| Cp,gas | 486.33 | J/mol×K | 934.66 | Joback Calculated Property |
| Cp,gas | 490.47 | J/mol×K | 975.67 | Joback Calculated Property |
| Cp,gas | 494.03 | J/mol×K | 1016.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Benzenedithiol, S,S'-bis(chlorodifluoroacetyl)-.
Sources
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