- InChI
- InChI=1S/C4H7NO2S/c1-3(6)4(5-7)8-2/h7H,1-2H3/b5-4-
- InChI Key
- LWKWIPSRFUFNQT-PLNGDYQASA-N
- Formula
- C4H7NO2S
- SMILES
- CSC(=NO)C(C)=O
- Molecular Weight1
- 133.17
- CAS
- 112740-61-1
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.5747 | Relay (1.0) Calculated Property | |
| ΔfG° | -18.53 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -176.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 59.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.75 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.726 | Crippen Calculated Property | |
| McVol | 96.690 | ml/mol | McGowan Calculated Property |
| Pc | 4271.86 | kPa | Joback Calculated Property |
| Tboil | 493.89 | K | Relay (1.0) Calculated Property |
| Tc | 723.93 | K | Relay (1.0) Calculated Property |
| Tfus | 316.23 | K | Relay (1.0) Calculated Property |
| Vc | 0.334 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
![2-[But-3-enylthio]ethanal.](data:image/png;base64,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)
Find more compounds similar to C4H7NO2S.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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