![2-Thiatricyclo[3.3.1.1(3,7)]decane](/cid/12-486-9/2-Thiatricyclo-3-3-1-1-3-7-decane.png "2-Thiatricyclo[3.3.1.1(3,7)]decane")
- InChI
- InChI=1S/C9H14S/c1-6-2-8-4-7(1)5-9(3-6)10-8/h6-9H,1-5H2
- InChI Key
- NOBCRSKNBOQNEL-UHFFFAOYSA-N
- Formula
- C9H14S
- SMILES
- C1C2CC3CC1CC(C2)S3
- Molecular Weight1
- 154.27
- CAS
- 281-25-4
- Other Names
-
- 2-Thiaadamantane
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase 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).
- Inp : Non-polar retention indices.
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -6000.86 ± 0.96 | kJ/mol | NIST |
| ΔfH°gas | -74.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -143.50 ± 1.10 | kJ/mol | NIST |
| ΔfusH° | 16.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.89 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.680 | Crippen Calculated Property | |
| McVol | 121.440 | ml/mol | McGowan Calculated Property |
| Inp | [1429.00; 1449.00] |
|
|
| Inp | 1429.00 | NIST | |
| Inp | 1439.00 | NIST | |
| Inp | 1449.00 | NIST | |
| Tfus | 597.00 ± 3.00 | K | NIST |
Cheméo can also estimate Normal Boiling Point Temperature, 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [279.83; 378.15] | J/mol×K | [473.17; 705.13] |
|
| Cp,gas | 279.83 | J/mol×K | 473.17 | Joback Calculated Property |
| Cp,gas | 299.66 | J/mol×K | 511.83 | Joback Calculated Property |
| Cp,gas | 317.96 | J/mol×K | 550.49 | Joback Calculated Property |
| Cp,gas | 334.83 | J/mol×K | 589.15 | Joback Calculated Property |
| Cp,gas | 350.41 | J/mol×K | 627.81 | Joback Calculated Property |
| Cp,gas | 364.81 | J/mol×K | 666.47 | Joback Calculated Property |
| Cp,gas | 378.15 | J/mol×K | 705.13 | Joback Calculated Property |
| Cp,solid | 213.00 | J/mol×K | 298.15 | NIST |
| ΔfusH | 8.10 | kJ/mol | 597.00 | NIST |
Similar Compounds
Find more compounds similar to 2-Thiatricyclo[3.3.1.1(3,7)]decane.
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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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