- InChI
- InChI=1S/C10H20S/c1-9(2)5-6-10(3,4)8-11-7-9/h5-8H2,1-4H3
- InChI Key
- KYRUZIUZBMLVTF-UHFFFAOYSA-N
- Formula
- C10H20S
- SMILES
- CC1(C)CCC(C)(C)CSC1
- Molecular Weight1
- 172.33
- CAS
- 53561-47-0
- 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).
- Tboil : Normal Boiling Point 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 | -195.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 3.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.15 | eV | NIST |
| logPoct/wat | 3.566 | Crippen Calculated Property | |
| McVol | 157.250 | ml/mol | McGowan Calculated Property |
| Tboil | 482.30 | K | Relay (1.0) Calculated Property |
| Tfus | 298.33 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, 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 | [193.56; 569.74] | 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 | -1.49150e+02 | |||
| Coefficient B | 1.63809e+00 | |||
| Coefficient C | -1.58330e-03 | |||
| Coefficient D | 6.64100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 193.56 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 261.61 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 318.20 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 365.42 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 405.38 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 440.18 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 471.92 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 502.69 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 534.59 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 569.74 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Thiacycloheptane,3,3,6,6-tetramethyl-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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