- InChI
- InChI=1S/C11H14S/c1-6-8-3-9-5-10(6)12-11(4-8)7(9)2/h8-11H,1-5H2
- InChI Key
- YTWVHGATJGAWAV-UHFFFAOYSA-N
- Formula
- C11H14S
- SMILES
- C=C1C2CC3CC1SC(C2)C3=C
- Molecular Weight1
- 178.29
- 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° | 350.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 135.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.81 | kJ/mol | Joback Calculated Property |
| log10WS | -3.44 | Crippen Calculated Property | |
| logPoct/wat | 3.013 | Crippen Calculated Property | |
| McVol | 141.020 | ml/mol | McGowan Calculated Property |
| Pc | 2890.51 | kPa | Joback Calculated Property |
| Inp | [1487.00; 1509.00] |
|
|
| Inp | 1487.00 | NIST | |
| Inp | 1487.00 | NIST | |
| Inp | 1498.00 | NIST | |
| Inp | 1509.00 | NIST | |
| Tboil | 517.05 | K | Joback Calculated Property |
| Tc | 745.15 | K | Joback Calculated Property |
| Tfus | 370.60 | K | Joback Calculated Property |
| Vc | 0.527 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [337.28; 428.16] | J/mol×K | [517.05; 745.15] |
|
| Cp,gas | 337.28 | J/mol×K | 517.05 | Joback Calculated Property |
| Cp,gas | 355.34 | J/mol×K | 555.07 | Joback Calculated Property |
| Cp,gas | 372.10 | J/mol×K | 593.08 | Joback Calculated Property |
| Cp,gas | 387.66 | J/mol×K | 631.10 | Joback Calculated Property |
| Cp,gas | 402.12 | J/mol×K | 669.12 | Joback Calculated Property |
| Cp,gas | 415.59 | J/mol×K | 707.13 | Joback Calculated Property |
| Cp,gas | 428.16 | J/mol×K | 745.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4,8-dimethylene-2-thiaadamantane.
Sources
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