- InChI
- InChI=1S/C3H6O2S/c1-4-3(6)5-2/h1-2H3
- InChI Key
- BJIKOZOULYUROB-UHFFFAOYSA-N
- Formula
- C3H6O2S
- SMILES
- COC(=S)OC
- Molecular Weight1
- 106.14
- CAS
- 1115-13-5
- Other Names
-
- O,O-Dimethyl monothiocarbonate
- O,O'-Dimethyl thiocarbonate
- O,O'-Dimethyl monothiocarbonate
- 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 |
|---|---|---|---|
| ΔfG° | -118.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -223.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.82 | kJ/mol | Joback Calculated Property |
| IE | [8.70; 8.99] | eV |
|
| IE | 8.70 | eV | NIST |
| IE | 8.99 | eV | NIST |
| log10WS | -0.60 | Crippen Calculated Property | |
| logPoct/wat | 0.564 | Crippen Calculated Property | |
| McVol | 76.920 | ml/mol | McGowan Calculated Property |
| Pc | 4769.39 | kPa | Joback Calculated Property |
| Tboil | 382.92 | K | Joback Calculated Property |
| Tc | 580.96 | K | Joback Calculated Property |
| Tfus | 202.30 | K | Joback Calculated Property |
| Vc | 0.276 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [129.21; 161.05] | J/mol×K | [382.92; 580.96] |
|
| Cp,gas | 129.21 | J/mol×K | 382.92 | Joback Calculated Property |
| Cp,gas | 135.06 | J/mol×K | 415.93 | Joback Calculated Property |
| Cp,gas | 140.68 | J/mol×K | 448.93 | Joback Calculated Property |
| Cp,gas | 146.09 | J/mol×K | 481.94 | Joback Calculated Property |
| Cp,gas | 151.29 | J/mol×K | 514.95 | Joback Calculated Property |
| Cp,gas | 156.27 | J/mol×K | 547.95 | Joback Calculated Property |
| Cp,gas | 161.05 | J/mol×K | 580.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (CH3O)2CS.
Sources
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