- InChI
- InChI=1S/C3H6OS2/c1-5-3(4)6-2/h1-2H3
- InChI Key
- IUXMJLLWUTWQFX-UHFFFAOYSA-N
- Formula
- C3H6OS2
- SMILES
- CSC(=O)SC
- Molecular Weight1
- 122.21
- CAS
- 868-84-8
- Other Names
-
- Carbonic acid, dithio-, S,S-dimethyl ester
- S,S-Dimethyl dithiocarbonate
- 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 | 0.2706 | Relay (1.0) Calculated Property | |
| ΔfG° | -88.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -182.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.832 | Crippen Calculated Property | |
| McVol | 87.400 | ml/mol | McGowan Calculated Property |
| Pc | 5037.07 | kPa | Joback Calculated Property |
| Tboil | 414.99 | K | Relay (1.0) Calculated Property |
| Tc | 619.49 | K | Relay (1.0) Calculated Property |
| Tfus | 280.91 | K | Relay (1.0) Calculated Property |
| Vc | 0.279 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [149.05; 187.16] | J/mol×K | [459.47; 693.28] | 
|
| Cp,gas | 149.05 | J/mol×K | 459.47 | Joback Calculated Property |
| Cp,gas | 156.21 | J/mol×K | 498.44 | Joback Calculated Property |
| Cp,gas | 163.06 | J/mol×K | 537.41 | Joback Calculated Property |
| Cp,gas | 169.60 | J/mol×K | 576.37 | Joback Calculated Property |
| Cp,gas | 175.80 | J/mol×K | 615.34 | Joback Calculated Property |
| Cp,gas | 181.66 | J/mol×K | 654.31 | Joback Calculated Property |
| Cp,gas | 187.16 | J/mol×K | 693.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonodithioic acid, S,S-dimethyl ester.
Sources
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