- InChI
- InChI=1S/C9H14OS/c10-9-6-1-5-2-7(4-6)11-8(9)3-5/h5-10H,1-4H2
- InChI Key
- QYWXGQGTCFPNAY-UHFFFAOYSA-N
- Formula
- C9H14OS
- SMILES
- OC1C2CC3CC(C2)SC1C3
- Molecular Weight1
- 170.27
- CAS
- 40801-15-8
- 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° | 82.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -164.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.41 | kJ/mol | Joback Calculated Property |
| log10WS | -2.27 | Crippen Calculated Property | |
| logPoct/wat | 1.651 | Crippen Calculated Property | |
| McVol | 127.310 | ml/mol | McGowan Calculated Property |
| Pc | 3686.49 | kPa | Joback Calculated Property |
| Inp | [1222.00; 1222.00] |
|
|
| Inp | 1222.00 | NIST | |
| Inp | 1222.00 | NIST | |
| Tboil | 560.48 | K | Joback Calculated Property |
| Tc | 774.70 | K | Joback Calculated Property |
| Tfus | 377.28 | K | Joback Calculated Property |
| Vc | 0.466 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [342.50; 423.35] | J/mol×K | [560.48; 774.70] |
|
| Cp,gas | 342.50 | J/mol×K | 560.48 | Joback Calculated Property |
| Cp,gas | 358.45 | J/mol×K | 596.18 | Joback Calculated Property |
| Cp,gas | 373.29 | J/mol×K | 631.89 | Joback Calculated Property |
| Cp,gas | 387.11 | J/mol×K | 667.59 | Joback Calculated Property |
| Cp,gas | 400.01 | J/mol×K | 703.30 | Joback Calculated Property |
| Cp,gas | 412.06 | J/mol×K | 739.00 | Joback Calculated Property |
| Cp,gas | 423.35 | J/mol×K | 774.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Thiaadamantan-4-ol.
Sources
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