- InChI
- InChI=1S/C2H5NO2S/c1-2-6(3,4)5/h2H,1H2,(H2,3,4,5)
- InChI Key
- JOXWSDNHLSQKCC-UHFFFAOYSA-N
- Formula
- C2H5NO2S
- SMILES
- C=CS(N)(=O)=O
- Molecular Weight1
- 107.13
- CAS
- 2386-58-5
- 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 | 0.4712 | Relay (1.0) Calculated Property | |
| ΔfG° | -348.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -240.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.582 | Crippen Calculated Property | |
| McVol | 72.810 | ml/mol | McGowan Calculated Property |
| Pc | 7483.15 | kPa | Joback Calculated Property |
| Tboil | 474.39 | K | Relay (1.0) Calculated Property |
| Tc | 692.07 | K | Relay (1.0) Calculated Property |
| Tfus | 327.90 | K | Relay (1.0) Calculated Property |
| Vc | 0.268 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [123.04; 155.85] | J/mol×K | [362.15; 547.08] | 
|
| Cp,gas | 123.04 | J/mol×K | 362.15 | Joback Calculated Property |
| Cp,gas | 129.05 | J/mol×K | 392.97 | Joback Calculated Property |
| Cp,gas | 134.85 | J/mol×K | 423.79 | Joback Calculated Property |
| Cp,gas | 140.44 | J/mol×K | 454.62 | Joback Calculated Property |
| Cp,gas | 145.80 | J/mol×K | 485.44 | Joback Calculated Property |
| Cp,gas | 150.94 | J/mol×K | 516.26 | Joback Calculated Property |
| Cp,gas | 155.85 | J/mol×K | 547.08 | Joback Calculated Property |
Similar Compounds
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Sources
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