- InChI
- InChI=1S/C5H10S2/c1-5-2-3-6-4-7-5/h5H,2-4H2,1H3
- InChI Key
- HAXRZEWLQORZFV-UHFFFAOYSA-N
- Formula
- C5H10S2
- SMILES
- CC1CCSCS1
- Molecular Weight1
- 134.27
- ω : Acentric Factor.
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.2160 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -39.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.59 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.202 | Crippen Calculated Property | |
| McVol | 103.150 | ml/mol | McGowan Calculated Property |
| Pc | 4414.96 | kPa | Joback Calculated Property |
| Inp | [1131.00; 1131.00] |
|
|
| Inp | 1131.00 | NIST | |
| Inp | 1131.00 | NIST | |
| Tboil | 470.68 | K | Relay (1.0) Calculated Property |
| Tc | 720.27 | K | Relay (1.0) Calculated Property |
| Tfus | 270.69 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Ionization energy, 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 | [122.51; 315.02] | 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 | -2.36200e+01 | |||
| Coefficient B | 6.29740e-01 | |||
| Coefficient C | -3.66600e-04 | |||
| Coefficient D | 7.55000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 122.51 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 156.63 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 187.00 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 213.88 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 237.50 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 258.09 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 275.90 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 291.17 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 304.13 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 315.02 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Dithiane, 4-methyl-.
Sources
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