- InChI
- InChI=1S/C15H22S/c1-3-5-12-10-7-11-9-14(12)16-15(8-10)13(11)6-4-2/h5-6,10-11,14-15H,3-4,7-9H2,1-2H3/b12-5+,13-6+
- InChI Key
- FNHNHDYEQKIOJM-BYDSPXIWSA-N
- Formula
- C15H22S
- SMILES
- CCC=C1C2CC3CC1SC(C2)C3=CCC
- Molecular Weight1
- 234.40
- 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° | 368.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 36.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.97 | kJ/mol | Joback Calculated Property |
| log10WS | -5.12 | Crippen Calculated Property | |
| logPoct/wat | 4.573 | Crippen Calculated Property | |
| McVol | 197.380 | ml/mol | McGowan Calculated Property |
| Pc | 2021.76 | kPa | Joback Calculated Property |
| Inp | [1787.00; 1839.00] |
|
|
| Inp | 1787.00 | NIST | |
| Inp | 1799.00 | NIST | |
| Inp | 1810.00 | NIST | |
| Inp | 1802.00 | NIST | |
| Inp | 1814.00 | NIST | |
| Inp | 1825.00 | NIST | |
| Inp | 1817.00 | NIST | |
| Inp | 1828.00 | NIST | |
| Inp | 1839.00 | NIST | |
| Tboil | 623.53 | K | Joback Calculated Property |
| Tc | 845.33 | K | Joback Calculated Property |
| Tfus | 409.04 | K | Joback Calculated Property |
| Vc | 0.750 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [539.62; 643.09] | J/mol×K | [623.53; 845.33] |
|
| Cp,gas | 539.62 | J/mol×K | 623.53 | Joback Calculated Property |
| Cp,gas | 559.71 | J/mol×K | 660.50 | Joback Calculated Property |
| Cp,gas | 578.50 | J/mol×K | 697.46 | Joback Calculated Property |
| Cp,gas | 596.11 | J/mol×K | 734.43 | Joback Calculated Property |
| Cp,gas | 612.65 | J/mol×K | 771.39 | Joback Calculated Property |
| Cp,gas | 628.27 | J/mol×K | 808.36 | Joback Calculated Property |
| Cp,gas | 643.09 | J/mol×K | 845.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4,8-dipropylidene-2-thiaadamantane.
Sources
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