- 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
- 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).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | -3836.00 ± 4.20 | kJ/mol | NIST |
| 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 |
| logPoct/wat | 1.997 | Crippen Calculated Property | |
| McVol | 97.880 | ml/mol | McGowan Calculated Property |
| Inp | [1195.80; 1195.80] |
|
|
| Inp | 1195.80 | NIST | |
| Inp | 1195.80 | NIST | |
| Tfus | 266.90 ± 0.60 | K | NIST |
Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [118.27; 222.18] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 3.17700e+01 | |||
| Coefficient B | 3.85010e-01 | |||
| Coefficient C | -2.70400e-04 | |||
| Coefficient D | 7.58000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 118.27 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 137.49 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 154.24 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 168.74 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 181.25 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 192.00 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 201.22 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 209.17 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 216.07 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 222.18 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Carbonotrithioic acid, dimethyl ester.
Sources
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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