- InChI
- InChI=1S/C5H10S2/c6-4-2-1-3-5(4)7/h4-7H,1-3H2
- InChI Key
- YZVNURZNMBCWGG-UHFFFAOYSA-N
- Formula
- C5H10S2
- SMILES
- SC1CCCC1S
- 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).
- Ip : 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3129 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -45.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.05 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 1.767 | Crippen Calculated Property | |
| McVol | 103.150 | ml/mol | McGowan Calculated Property |
| Pc | 4938.44 | kPa | Joback Calculated Property |
| Ip | [1519.00; 1520.00] |
|
|
| Ip | 1520.00 | NIST | |
| Ip | 1519.00 | NIST | |
| Ip | 1519.00 | NIST | |
| Ip | 1520.00 | NIST | |
| Tboil | 481.04 | K | Relay (1.0) Calculated Property |
| Tc | 710.97 | K | Relay (1.0) Calculated Property |
| Tfus | 237.43 | 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 | [122.16; 317.98] | 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 | -2.64200e+01 | |||
| Coefficient B | 6.38600e-01 | |||
| Coefficient C | -3.65000e-04 | |||
| Coefficient D | 7.08000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 122.16 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 156.95 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 187.97 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 215.43 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 239.55 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 260.56 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 278.69 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 294.15 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 307.17 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 317.98 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-dimercaptocyclopentane.
Sources
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