- InChI
- InChI=1S/C7H5F9OS/c1-2-18-3(17)4(8,9)5(10,11)6(12,13)7(14,15)16/h2H2,1H3
- InChI Key
- VIZPJQZIXDOYQY-UHFFFAOYSA-N
- Formula
- C7H5F9OS
- SMILES
-
CCSC(=O)C(F)(F)C(F)(F)C(F)(F)C
(F)(F)F - Molecular Weight1
- 308.17
- 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.
- I : 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° | -1829.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2058.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 32.20 | kJ/mol | Joback Calculated Property |
| log10WS | -4.02 | Crippen Calculated Property | |
| logPoct/wat | 3.734 | Crippen Calculated Property | |
| McVol | 143.340 | ml/mol | McGowan Calculated Property |
| Pc | 2185.64 | kPa | Joback Calculated Property |
| Inp | [752.00; 773.00] |
|
|
| Inp | 766.00 | NIST | |
| Inp | 757.00 | NIST | |
| Inp | 752.00 | NIST | |
| Inp | 773.00 | NIST | |
| I | [797.00; 880.00] |
|
|
| I | 855.00 | NIST | |
| I | 821.00 | NIST | |
| I | 797.00 | NIST | |
| I | 880.00 | NIST | |
| Tboil | 462.72 | K | Joback Calculated Property |
| Tc | 623.33 | K | Joback Calculated Property |
| Tfus | 267.97 | K | Joback Calculated Property |
| Vc | 0.606 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [350.75; 406.49] | J/mol×K | [462.72; 623.33] |
|
| Cp,gas | 350.75 | J/mol×K | 462.72 | Joback Calculated Property |
| Cp,gas | 361.99 | J/mol×K | 489.49 | Joback Calculated Property |
| Cp,gas | 372.39 | J/mol×K | 516.26 | Joback Calculated Property |
| Cp,gas | 382.00 | J/mol×K | 543.03 | Joback Calculated Property |
| Cp,gas | 390.86 | J/mol×K | 569.80 | Joback Calculated Property |
| Cp,gas | 399.00 | J/mol×K | 596.56 | Joback Calculated Property |
| Cp,gas | 406.49 | J/mol×K | 623.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Perfluoro-pentan ethioic acid S-ethyl ester.
Sources
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