- InChI
- InChI=1S/C3H7NOS/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)
- InChI Key
- YXXURDJTDAAEPH-UHFFFAOYSA-N
- Formula
- C3H7NOS
- SMILES
- CC(N)C(=O)S
- Molecular Weight1
- 105.16
- CAS
- 758-28-1
- 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 | 0.4329 | Relay (1.0) Calculated Property | |
| ΔfG° | -61.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -173.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.210 | Crippen Calculated Property | |
| McVol | 81.030 | ml/mol | McGowan Calculated Property |
| Pc | 5791.74 | kPa | Joback Calculated Property |
| Tboil | 416.54 | K | Relay (1.0) Calculated Property |
| Tc | 641.05 | K | Relay (1.0) Calculated Property |
| Tfus | 428.96 | K | Relay (1.0) Calculated Property |
| Vc | 0.270 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [153.24; 192.10] | J/mol×K | [456.86; 684.59] | 
|
| Cp,gas | 153.24 | J/mol×K | 456.86 | Joback Calculated Property |
| Cp,gas | 160.71 | J/mol×K | 494.82 | Joback Calculated Property |
| Cp,gas | 167.77 | J/mol×K | 532.77 | Joback Calculated Property |
| Cp,gas | 174.43 | J/mol×K | 570.73 | Joback Calculated Property |
| Cp,gas | 180.70 | J/mol×K | 608.68 | Joback Calculated Property |
| Cp,gas | 186.58 | J/mol×K | 646.64 | Joback Calculated Property |
| Cp,gas | 192.10 | J/mol×K | 684.59 | Joback Calculated Property |
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)
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