- InChI
- InChI=1S/C11H9ClF3NO5S/c1-6(21-10(18)11(13,14)15)9(17)16-22(19,20)8-4-2-7(12)3-5-8/h2-6H,1H3,(H,16,17)
- InChI Key
- XJVUBPGZNBCJIR-UHFFFAOYSA-N
- Formula
- C11H9ClF3NO5S
- SMILES
-
CC(OC(=O)C(F)(F)F)C(=O)NS(=O)(
=O)c1ccc(Cl)cc1 - Molecular Weight1
- 359.71
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -1193.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1420.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.24 | kJ/mol | Joback Calculated Property |
| log10WS | -3.12 | Crippen Calculated Property | |
| logPoct/wat | 1.639 | Crippen Calculated Property | |
| McVol | 206.720 | ml/mol | McGowan Calculated Property |
| Pc | 2999.15 | kPa | Joback Calculated Property |
| Inp | [1847.00; 1847.00] |
|
|
| Inp | 1847.00 | NIST | |
| Inp | 1847.00 | NIST | |
| Tboil | 742.42 | K | Joback Calculated Property |
| Tc | 945.31 | K | Joback Calculated Property |
| Tfus | 485.09 | K | Joback Calculated Property |
| Vc | 0.821 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [545.58; 592.10] | J/mol×K | [742.42; 945.31] |
|
| Cp,gas | 545.58 | J/mol×K | 742.42 | Joback Calculated Property |
| Cp,gas | 555.57 | J/mol×K | 776.24 | Joback Calculated Property |
| Cp,gas | 564.64 | J/mol×K | 810.05 | Joback Calculated Property |
| Cp,gas | 572.80 | J/mol×K | 843.87 | Joback Calculated Property |
| Cp,gas | 580.09 | J/mol×K | 877.68 | Joback Calculated Property |
| Cp,gas | 586.51 | J/mol×K | 911.50 | Joback Calculated Property |
| Cp,gas | 592.10 | J/mol×K | 945.31 | Joback Calculated Property |
Similar Compounds
Sources
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