- InChI
- InChI=1S/C10H20S4/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1/h1-10H2
- InChI Key
- WMVHWZHZRYGGOO-UHFFFAOYSA-N
- Formula
- C10H20S4
- SMILES
- C1CSCCSCCCSCCSC1
- Molecular Weight1
- 268.53
- CAS
- 24194-61-4
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- 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 | 0.2199 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -185.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.15 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.713 | Crippen Calculated Property | |
| McVol | 206.300 | ml/mol | McGowan Calculated Property |
| Pc | 3213.68 | kPa | Joback Calculated Property |
| Tboil | 651.46 | K | Relay (1.0) Calculated Property |
| Tc | 893.42 | K | Relay (1.0) Calculated Property |
| Tfus | 394.07 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 33.00 | kJ/mol | 393.20 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [236.26; 633.21] | 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 | -3.14300e+01 | |||
| Coefficient B | 1.08324e+00 | |||
| Coefficient C | -3.60200e-04 | |||
| Coefficient D | -5.84000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 236.26 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 304.13 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 366.49 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 423.15 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 473.93 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 518.66 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 557.13 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 589.17 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 614.59 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 633.21 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,4,8,11-Tetrathiacyclotetradecane.
Sources
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