- InChI
- InChI=1S/C10H22S2/c1-9(2)7-6-8-11-12-10(3,4)5/h9H,6-8H2,1-5H3
- InChI Key
- YFIABJPNNHDMKM-UHFFFAOYSA-N
- Formula
- C10H22S2
- SMILES
- CC(C)CCCSSC(C)(C)C
- Molecular Weight1
- 206.42
- 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).
- 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).
- 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 | 0.4126 | Relay (1.0) Calculated Property | |
| ΔfusH° | 18.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.30 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.603 | Crippen Calculated Property | |
| McVol | 184.460 | ml/mol | McGowan Calculated Property |
| Pc | 2231.30 | kPa | Joback Calculated Property |
| Inp | 1257.00 | NIST | |
| Tboil | 511.97 | K | Relay (1.0) Calculated Property |
| Tc | 709.64 | K | Relay (1.0) Calculated Property |
| Tfus | 216.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.673 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of formation at standard conditions, 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [256.85; 590.42] | 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 | 6.84300e+00 | |||
| Coefficient B | 1.07438e+00 | |||
| Coefficient C | -6.14800e-04 | |||
| Coefficient D | 1.24000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 256.85 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 315.48 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 367.80 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 414.21 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 455.09 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 490.85 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 521.87 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 548.54 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 571.26 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 590.42 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,8-trimethyl-3,4-dithianonane.
Sources
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