- InChI
- InChI=1S/C14H24SSi/c1-11-8-9-13(12(2)10-11)15-16(6,7)14(3,4)5/h8-10H,1-7H3
- InChI Key
- AARCDAOQVNCNMA-UHFFFAOYSA-N
- Formula
- C14H24SSi
- SMILES
-
Cc1ccc(S[Si](C)(C)C(C)(C)C)c(C
)c1 - Molecular Weight1
- 252.49
- Other Names
-
- 2,4-Dimethylbenzenethiol, tbdms 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 | 0.4079 | Relay (1.0) Calculated Property | |
| ΔfG° | 155.38 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -174.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 61.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.401 | Crippen Calculated Property | |
| Pc | 1933.79 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1671.50; 1671.50] |
|
|
| Inp | 1671.50 | NIST | |
| Inp | 1671.50 | NIST | |
| Tboil | 554.70 | K | Relay (1.0) Calculated Property |
| Tc | 758.81 | K | Relay (1.0) Calculated Property |
| Tfus | 334.47 | K | Relay (1.0) Calculated Property |
| Vc | 0.795 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Dimethylbenzenethiol, S-(tert-butyldimethylsilyl)-.
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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