- InChI
- InChI=1S/C6H14S2/c1-4-5-6(7-2)8-3/h6H,4-5H2,1-3H3
- InChI Key
- NOCYIUVTTOGLND-UHFFFAOYSA-N
- Formula
- C6H14S2
- SMILES
- CCCC(SC)SC
- Molecular Weight1
- 150.31
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 | 0.3010 | Relay (1.0) Calculated Property | |
| ΔfusH° | 16.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.65 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.839 | Crippen Calculated Property | |
| McVol | 128.100 | ml/mol | McGowan Calculated Property |
| Pc | 3257.86 | kPa | Joback Calculated Property |
| Inp | [1124.00; 1124.00] |
|
|
| Inp | 1124.00 | NIST | |
| Inp | 1124.00 | NIST | |
| Tboil | 451.71 | K | Relay (1.0) Calculated Property |
| Tc | 649.09 | K | Relay (1.0) Calculated Property |
| Tfus | 175.08 | K | Relay (1.0) Calculated Property |
| Vc | 0.437 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of formation at standard conditions, 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 | [173.46; 382.59] | 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 | 3.49520e+01 | |||
| Coefficient B | 5.68540e-01 | |||
| Coefficient C | -2.25400e-04 | |||
| Coefficient D | 4.50000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 173.46 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 208.08 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 239.82 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 268.70 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 294.72 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 317.91 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 338.28 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 355.84 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 370.61 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 382.59 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-propyl-2,4-dithiapentane.
Sources
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