- InChI
- InChI=1S/C3H6S/c1-3-4-2/h3H,1H2,2H3
- InChI Key
- AMBKPYJJYUKNFI-UHFFFAOYSA-N
- Formula
- C3H6S
- SMILES
- C=CSC
- Molecular Weight1
- 74.14
- CAS
- 1822-74-8
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 858.20 | kJ/mol | NIST |
| BasG | 829.30 | kJ/mol | NIST |
| ΔfH°gas | 45.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 6.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 32.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [8.44; 8.45] | eV |
|
| IE | 8.45 | eV | NIST |
| IE | 8.44 | eV | NIST |
| IE | 8.45 | eV | NIST |
| IE | 8.45 | eV | NIST |
| logPoct/wat | 1.493 | Crippen Calculated Property | |
| McVol | 65.180 | ml/mol | McGowan Calculated Property |
| Inp | [608.00; 608.00] |
|
|
| Inp | 608.00 | NIST | |
| Inp | 608.00 | NIST | |
| Inp | 608.00 | NIST | |
| Tboil | [339.75; 343.15] | K |
|
| Tboil | 342.70 | K | NIST |
| Tboil | 343.15 ± 2.00 | K | NIST |
| Tboil | 339.75 ± 0.60 | K | NIST |
Cheméo can also estimate Normal melting (fusion) point, 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 | [79.82; 172.18] | 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 | 1.67700e+01 | |||
| Coefficient B | 2.63210e-01 | |||
| Coefficient C | -1.22100e-04 | |||
| Coefficient D | 1.43000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 79.82 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 95.24 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 109.27 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 121.94 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 133.31 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 143.43 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 152.32 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 160.05 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 166.65 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 172.18 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Methyl vinyl sulfide.
Sources
- Cheméo Relay (1.0)
- 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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