- InChI
- InChI=1S/CH4S2/c2-1-3/h2-3H,1H2
- InChI Key
- INBDPOJZYZJUDA-UHFFFAOYSA-N
- Formula
- CH4S2
- SMILES
- SCS
- Molecular Weight1
- 80.17
- CAS
- 6725-64-0
- Other Names
-
- dithiomethane
- Dimercaptomethane
- 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 | 0.3372 | Relay (1.0) Calculated Property | |
| ΔfG° | 16.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 32.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 6.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.90 | eV | NIST |
| log10WS | -0.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.803 | Crippen Calculated Property | |
| McVol | 57.650 | ml/mol | McGowan Calculated Property |
| Pc | 7109.36 | kPa | Joback Calculated Property |
| Inp | [661.00; 740.00] |
|
|
| Inp | 692.00 | NIST | |
| Inp | 740.00 | NIST | |
| Inp | 661.00 | NIST | |
| Inp | 661.00 | NIST | |
| Tboil | 375.10 | K | Relay (1.0) Calculated Property |
| Tc | 634.12 | K | Relay (1.0) Calculated Property |
| Tfus | 181.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.192 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [68.26; 121.66] | 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 | 3.17610e+01 | |||
| Coefficient B | 1.53400e-01 | |||
| Coefficient C | -7.54000e-05 | |||
| Coefficient D | 1.19000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 68.26 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 77.12 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 85.16 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 92.42 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 98.93 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 104.74 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 109.88 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 114.39 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 118.30 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 121.66 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Methanedithiol.
Sources
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