- InChI
- InChI=1S/C11H16S/c1-2-10-8-3-7-4-9(6-8)12-11(10)5-7/h2,7-9,11H,3-6H2,1H3/b10-2+
- InChI Key
- OGNJHZQCNYTMRS-WTDSWWLTSA-N
- Formula
- C11H16S
- SMILES
- CC=C1C2CC3CC(C2)SC1C3
- Molecular Weight1
- 180.31
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- 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 |
|---|---|---|---|
| ΔfG° | 289.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 42.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.28 | kJ/mol | Joback Calculated Property |
| log10WS | -3.59 | Crippen Calculated Property | |
| logPoct/wat | 3.237 | Crippen Calculated Property | |
| McVol | 145.320 | ml/mol | McGowan Calculated Property |
| Pc | 2862.74 | kPa | Joback Calculated Property |
| Inp | [1556.00; 1588.00] |
|
|
| Inp | 1556.00 | NIST | |
| Inp | 1563.00 | NIST | |
| Inp | 1574.00 | NIST | |
| Inp | 1569.00 | NIST | |
| Inp | 1577.00 | NIST | |
| Inp | 1588.00 | NIST | |
| Tboil | 525.37 | K | Joback Calculated Property |
| Tc | 757.07 | K | Joback Calculated Property |
| Tfus | 353.60 | K | Joback Calculated Property |
| Vc | 0.542 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [356.88; 455.49] | J/mol×K | [525.37; 757.07] |
|
| Cp,gas | 356.88 | J/mol×K | 525.37 | Joback Calculated Property |
| Cp,gas | 376.59 | J/mol×K | 563.99 | Joback Calculated Property |
| Cp,gas | 394.81 | J/mol×K | 602.60 | Joback Calculated Property |
| Cp,gas | 411.69 | J/mol×K | 641.22 | Joback Calculated Property |
| Cp,gas | 427.34 | J/mol×K | 679.83 | Joback Calculated Property |
| Cp,gas | 441.90 | J/mol×K | 718.45 | Joback Calculated Property |
| Cp,gas | 455.49 | J/mol×K | 757.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-ethylidene-2-thiaadamantane.
Sources
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