- InChI
- InChI=1S/C2H6S/c1-3-2/h1-2H3/i1D3
- InChI Key
- QMMFVYPAHWMCMS-FIBGUPNXSA-N
- Formula
- C2H3D3S
- SMILES
- CSC
- Molecular Weight1
- 65.15
- CAS
- 4752-12-9
- 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 | 0.1723 | Relay (1.0) Calculated Property | |
| ΔfG° | -0.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -58.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 5.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 26.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.70 ± 0.10 | eV | NIST |
| log10WS | -0.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.979 | Crippen Calculated Property | |
| McVol | 55.390 | ml/mol | McGowan Calculated Property |
| Pc | 5153.45 | kPa | Joback Calculated Property |
| Tboil | 302.93 | K | Relay (1.0) Calculated Property |
| Tc | 500.53 | K | Relay (1.0) Calculated Property |
| Tfus | 177.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.200 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [68.41; 149.10] | 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 | 2.06700e+01 | |||
| Coefficient B | 1.88230e-01 | |||
| Coefficient C | -4.48000e-05 | |||
| Coefficient D | -1.50000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 68.41 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 80.99 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 92.78 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 103.72 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 113.78 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 122.90 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 131.04 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 138.16 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 144.19 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 149.10 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Methane-d3,(methylthio).
Sources
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