- InChI
- InChI=1S/C11H9F5O2S/c1-19-4-2-3-18-11(17)5-6(12)8(14)10(16)9(15)7(5)13/h2-4H2,1H3
- InChI Key
- MKSFUAZEEQSRPY-UHFFFAOYSA-N
- Formula
- C11H9F5O2S
- SMILES
-
CSCCCOC(=O)c1c(F)c(F)c(F)c(F)c
1F - Molecular Weight1
- 300.25
- 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° | -1068.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1274.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.55 | kJ/mol | Joback Calculated Property |
| log10WS | -4.51 | Crippen Calculated Property | |
| logPoct/wat | 3.292 | Crippen Calculated Property | |
| McVol | 174.730 | ml/mol | McGowan Calculated Property |
| Pc | 2104.20 | kPa | Joback Calculated Property |
| Inp | [1570.00; 1570.00] |
|
|
| Inp | 1570.00 | NIST | |
| Inp | 1570.00 | NIST | |
| Tboil | 644.08 | K | Joback Calculated Property |
| Tc | 830.74 | K | Joback Calculated Property |
| Tfus | 412.26 | K | Joback Calculated Property |
| Vc | 0.712 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [434.92; 490.00] | J/mol×K | [644.08; 830.74] |
|
| Cp,gas | 434.92 | J/mol×K | 644.08 | Joback Calculated Property |
| Cp,gas | 445.43 | J/mol×K | 675.19 | Joback Calculated Property |
| Cp,gas | 455.42 | J/mol×K | 706.30 | Joback Calculated Property |
| Cp,gas | 464.87 | J/mol×K | 737.41 | Joback Calculated Property |
| Cp,gas | 473.80 | J/mol×K | 768.52 | Joback Calculated Property |
| Cp,gas | 482.17 | J/mol×K | 799.63 | Joback Calculated Property |
| Cp,gas | 490.00 | J/mol×K | 830.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-(Methylthio)propyl 2,3,4,5,6-pentafluorobenzoate.
Sources
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