- InChI
- InChI=1S/C12H20SSi/c1-10(2)11-6-8-12(9-7-11)13-14(3,4)5/h6-10H,1-5H3
- InChI Key
- ZEDPGKKABRRDOI-UHFFFAOYSA-N
- Formula
- C12H20SSi
- SMILES
- CC(C)c1ccc(S[Si](C)(C)C)cc1
- Molecular Weight1
- 224.44
- Other Names
-
- 4-Isopropylbenzenethiol, tms derivative
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- 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 |
|---|---|---|---|
| ω | 0.3727 | Relay (1.0) Calculated Property | |
| ΔfG° | 129.93 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -163.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 63.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.737 | Crippen Calculated Property | |
| Pc | 1802.65 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1480.30; 1480.30] |
|
|
| Inp | 1480.30 | NIST | |
| Inp | 1480.30 | NIST | |
| Tboil | 537.94 | K | Relay (1.0) Calculated Property |
| Tc | 722.45 | K | Relay (1.0) Calculated Property |
| Tfus | 293.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.727 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 4-Isopropylbenzenethiol, S-trimethylsilyl-.
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
- NIST Webbook
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