- InChI
- InChI=1S/C3H6S2/c1-3(4)5-2/h1-2H3
- InChI Key
- PFWSEYMNCOMKDX-UHFFFAOYSA-N
- Formula
- C3H6S2
- SMILES
- CSC(C)=S
- Molecular Weight1
- 106.21
- CAS
- 2168-84-5
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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 |
|---|---|---|---|
| PAff | 860.70 | kJ/mol | NIST |
| BasG | 831.50 | kJ/mol | NIST |
| ΔfG° | 124.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 83.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.82 | kJ/mol | Joback Calculated Property |
| IE | [8.10; 8.50] | eV |
|
| IE | 8.10 | eV | NIST |
| IE | 8.50 | eV | NIST |
| log10WS | -1.81 | Crippen Calculated Property | |
| logPoct/wat | 1.697 | Crippen Calculated Property | |
| McVol | 81.530 | ml/mol | McGowan Calculated Property |
| Pc | 5123.98 | kPa | Joback Calculated Property |
| Inp | 831.00 | NIST | |
| Tboil | 406.86 | K | Joback Calculated Property |
| Tc | 634.32 | K | Joback Calculated Property |
| Tfus | 192.24 | K | Joback Calculated Property |
| Vc | 0.293 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [126.65; 161.36] | J/mol×K | [406.86; 634.32] |
|
| Cp,gas | 126.65 | J/mol×K | 406.86 | Joback Calculated Property |
| Cp,gas | 133.56 | J/mol×K | 444.77 | Joback Calculated Property |
| Cp,gas | 139.98 | J/mol×K | 482.68 | Joback Calculated Property |
| Cp,gas | 145.93 | J/mol×K | 520.59 | Joback Calculated Property |
| Cp,gas | 151.46 | J/mol×K | 558.50 | Joback Calculated Property |
| Cp,gas | 156.59 | J/mol×K | 596.41 | Joback Calculated Property |
| Cp,gas | 161.36 | J/mol×K | 634.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl dithioacetate.
Sources
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