- InChI
- InChI=1S/C11H4ClF7O2S/c12-7(20)5-2-1-3-6(4-5)22-8(21)9(13,14)10(15,16)11(17,18)19/h1-4H
- InChI Key
- BPOKCLDWSBNTME-UHFFFAOYSA-N
- Formula
- C11H4ClF7O2S
- SMILES
-
O=C(Cl)c1cccc(SC(=O)C(F)(F)C(F
)(F)C(F)(F)F)c1 - Molecular Weight1
- 368.65
- 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 | 0.5399 | Relay (... Calculated Property | |
| ΔfG° | -1447.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1708.09 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 28.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.96 | kJ/mol | Relay (... Calculated Property |
| IE | 9.71 | eV | Relay (... Calculated Property |
| log10WS | -5.76 | Relay (... Calculated Property | |
| logPoct/wat | 4.517 | Crippen Calculated Property | |
| McVol | 186.210 | ml/mol | McGowan Calculated Property |
| Pc | 2246.13 | kPa | Joback Calculated Property |
| Inp | 1434.00 | NIST | |
| Tboil | 521.64 | K | Relay (... Calculated Property |
| Tc | 690.25 | K | Relay (... Calculated Property |
| Tfus | 288.56 | K | Relay (... Calculated Property |
| Vc | 0.639 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [477.19; 518.60] | J/mol×K | [681.89; 889.93] | 
|
| Cp,gas | 477.19 | J/mol×K | 681.89 | Joback Calculated Property |
| Cp,gas | 486.12 | J/mol×K | 716.56 | Joback Calculated Property |
| Cp,gas | 494.12 | J/mol×K | 751.24 | Joback Calculated Property |
| Cp,gas | 501.29 | J/mol×K | 785.91 | Joback Calculated Property |
| Cp,gas | 507.70 | J/mol×K | 820.59 | Joback Calculated Property |
| Cp,gas | 513.44 | J/mol×K | 855.26 | Joback Calculated Property |
| Cp,gas | 518.60 | J/mol×K | 889.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-(Heptafluorobutyrylthio)benzoyl chloride.
Sources
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