- InChI
- InChI=1S/CH4S2/c1-3-2/h2H,1H3
- InChI Key
- KFLNNVFDKSNGBW-UHFFFAOYSA-N
- Formula
- CH4S2
- SMILES
- CSS
- Molecular Weight1
- 80.18
- Other Names
-
- Methyl hydrodisulfide
- Methyl sulfhydryl sulfide
- Hydrogen methyl disulfide
- 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).
- 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 |
|---|---|---|---|
| ω | 0.2253 | Relay (1.0) Calculated Property | |
| ΔfG° | 20.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -25.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 6.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.194 | Crippen Calculated Property | |
| McVol | 57.650 | ml/mol | McGowan Calculated Property |
| Pc | 6577.70 | kPa | Joback Calculated Property |
| Inp | [640.00; 686.00] |
|
|
| Inp | 640.00 | NIST | |
| Inp | 686.00 | NIST | |
| Inp | 686.00 | NIST | |
| Tboil | 354.64 | K | Relay (1.0) Calculated Property |
| Tc | 664.80 | K | Relay (1.0) Calculated Property |
| Tfus | 230.67 | K | Relay (1.0) Calculated Property |
| Vc | 0.214 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [67.98; 122.88] | 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 | 3.64700e+01 | |||
| Coefficient B | 1.20510e-01 | |||
| Coefficient C | -1.28000e-05 | |||
| Coefficient D | -2.13000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 67.98 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 76.56 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 84.67 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 92.26 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 99.25 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 105.57 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 111.16 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 115.96 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 119.89 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 122.88 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to METHYLSULFIDTIOLE.
Sources
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