- InChI
- InChI=1S/C6H14S4/c1-3-4-5-6-8-10-9-7-2/h3-6H2,1-2H3
- InChI Key
- VWDDVBVZQOYCHO-UHFFFAOYSA-N
- Formula
- C6H14S4
- SMILES
- CCCCCSSSSC
- Molecular Weight1
- 214.45
- 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).
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -45.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.54 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.484 | Crippen Calculated Property | |
| McVol | 160.800 | ml/mol | McGowan Calculated Property |
| Pc | 3356.75 | kPa | Joback Calculated Property |
| Inp | [1508.00; 1508.00] |
|
|
| Inp | 1508.00 | NIST | |
| Inp | 1508.00 | NIST | |
| Tboil | 549.88 | K | Relay (1.0) Calculated Property |
| Tc | 783.32 | K | Relay (1.0) Calculated Property |
| Tfus | 253.90 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [214.78; 435.23] | 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 | 7.58340e+01 | |||
| Coefficient B | 5.51400e-01 | |||
| Coefficient C | -1.41800e-04 | |||
| Coefficient D | -5.02000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 214.78 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 250.94 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 284.55 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 315.46 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 343.51 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 368.53 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 390.38 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 408.88 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 423.89 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 435.23 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to methyl pentyl tetrasulfide.
Sources
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