- InChI
- InChI=1S/C9H11FO3S/c1-8-2-4-9(5-3-8)14(11,12)13-7-6-10/h2-5H,6-7H2,1H3
- InChI Key
- XNRDLSNSMTUXBV-UHFFFAOYSA-N
- Formula
- C9H11FO3S
- SMILES
- Cc1ccc(S(=O)(=O)OCCF)cc1
- Molecular Weight1
- 218.25
- CAS
- 383-50-6
- 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).
- 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 | 0.6005 | Relay (1.0) Calculated Property | |
| ΔfG° | -640.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -638.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.670 | Crippen Calculated Property | |
| McVol | 149.640 | ml/mol | McGowan Calculated Property |
| Pc | 3572.80 | kPa | Joback Calculated Property |
| Tboil | 572.08 | K | Relay (1.0) Calculated Property |
| Tc | 781.84 | K | Relay (1.0) Calculated Property |
| Tfus | 309.57 | K | Relay (1.0) Calculated Property |
| Vc | 0.533 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [324.51; 393.30] | J/mol×K | [506.45; 697.28] | 
|
| Cp,gas | 324.51 | J/mol×K | 506.45 | Joback Calculated Property |
| Cp,gas | 337.48 | J/mol×K | 538.25 | Joback Calculated Property |
| Cp,gas | 349.85 | J/mol×K | 570.06 | Joback Calculated Property |
| Cp,gas | 361.62 | J/mol×K | 601.86 | Joback Calculated Property |
| Cp,gas | 372.79 | J/mol×K | 633.67 | Joback Calculated Property |
| Cp,gas | 383.35 | J/mol×K | 665.47 | Joback Calculated Property |
| Cp,gas | 393.30 | J/mol×K | 697.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to P-toluenesulfonic acid, 2-fluoroethyl ester.
Sources
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