- InChI
- InChI=1S/C11H7F5O3S/c1-20-7-5-3-2-4-6(7)8(17)19-9(18)10(12,13)11(14,15)16/h2-5H,1H3
- InChI Key
- IGVIDERCMQOFIB-UHFFFAOYSA-N
- Formula
- C11H7F5O3S
- SMILES
-
CSc1ccccc1C(=O)OC(=O)C(F)(F)C(
F)(F)F - Molecular Weight1
- 314.23
- 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 | 0.5783 | Relay (1.0) Calculated Property | |
| ΔfG° | -1153.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1502.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.290 | Crippen Calculated Property | |
| McVol | 176.300 | ml/mol | McGowan Calculated Property |
| Pc | 2453.17 | kPa | Joback Calculated Property |
| Inp | [1435.00; 1435.00] |
|
|
| Inp | 1435.00 | NIST | |
| Inp | 1435.00 | NIST | |
| Tboil | 527.17 | K | Relay (1.0) Calculated Property |
| Tc | 694.53 | K | Relay (1.0) Calculated Property |
| Tfus | 276.45 | K | Relay (1.0) Calculated Property |
| Vc | 0.613 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [458.96; 509.28] | J/mol×K | [671.57; 880.94] |
|
| Cp,gas | 458.96 | J/mol×K | 671.57 | Joback Calculated Property |
| Cp,gas | 469.43 | J/mol×K | 706.47 | Joback Calculated Property |
| Cp,gas | 479.01 | J/mol×K | 741.36 | Joback Calculated Property |
| Cp,gas | 487.73 | J/mol×K | 776.26 | Joback Calculated Property |
| Cp,gas | 495.65 | J/mol×K | 811.15 | Joback Calculated Property |
| Cp,gas | 502.81 | J/mol×K | 846.05 | Joback Calculated Property |
| Cp,gas | 509.28 | J/mol×K | 880.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-(Methylthio)benzoic pentafluoropropionic anhydride.
Sources
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