- InChI
- InChI=1S/C3H6S3/c1-5-3(4)6-2/h1-2H3
- InChI Key
- IQWMXKTYXNMSLC-UHFFFAOYSA-N
- Formula
- C3H6S3
- SMILES
- CSC(=S)SC
- Molecular Weight1
- 138.28
- CAS
- 2314-48-9
- Other Names
-
- Carbonic acid, trithio-, dimethyl ester
- Dimethyl trithiocarbonate
- (CH3S)2CS
- Dimethylester kyseliny trithiouhlicite
- Trithiocarbonic acid dimethyl ester
- ΔcH°liquid : Standard liquid enthalpy of combustion (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).
- ΔfH°liquid : Liquid phase 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 |
|---|---|---|---|
| ΔcH°liquid | -3836.00 ± 4.20 | kJ/mol | NIST |
| ΔfG° | 157.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 57.70 | kJ/mol | NIST |
| ΔfH°liquid | -8.40 ± 4.20 | kJ/mol | NIST |
| ΔfusH° | 16.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [66.10; 66.27] | kJ/mol |
|
| ΔvapH° | 66.27 | kJ/mol | NIST |
| ΔvapH° | 66.10 | kJ/mol | NIST |
| IE | [7.90; 8.50] | eV |
|
| IE | 7.90 | eV | NIST |
| IE | 8.50 | eV | NIST |
| log10WS | -2.19 | Crippen Calculated Property | |
| logPoct/wat | 1.997 | Crippen Calculated Property | |
| McVol | 97.880 | ml/mol | McGowan Calculated Property |
| Pc | 5251.00 | kPa | Joback Calculated Property |
| Inp | [1195.80; 1195.80] |
|
|
| Inp | 1195.80 | NIST | |
| Inp | 1195.80 | NIST | |
| Tboil | 475.64 | K | Joback Calculated Property |
| Tc | 730.36 | K | Joback Calculated Property |
| Tfus | 266.90 ± 0.60 | K | NIST |
| Vc | 0.347 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [161.88; 198.26] | J/mol×K | [475.64; 730.36] |
|
| Cp,gas | 161.88 | J/mol×K | 475.64 | Joback Calculated Property |
| Cp,gas | 169.20 | J/mol×K | 518.09 | Joback Calculated Property |
| Cp,gas | 175.97 | J/mol×K | 560.55 | Joback Calculated Property |
| Cp,gas | 182.23 | J/mol×K | 603.00 | Joback Calculated Property |
| Cp,gas | 188.01 | J/mol×K | 645.45 | Joback Calculated Property |
| Cp,gas | 193.34 | J/mol×K | 687.91 | Joback Calculated Property |
| Cp,gas | 198.26 | J/mol×K | 730.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonotrithioic acid, dimethyl ester.
Sources
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