- InChI
- InChI=1S/C8H12S/c1-5-6(2)8(4)9-7(5)3/h1-4H3
- InChI Key
- IYULAUPEFMQEKK-UHFFFAOYSA-N
- Formula
- C8H12S
- SMILES
- Cc1sc(C)c(C)c1C
- Molecular Weight1
- 140.25
- CAS
- 14503-51-6
- Other Names
-
- 2,3,4,5-Tetramethylthiophene
- Thiophene,tetramethyl-
- 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.
- 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 |
|---|---|---|---|
| ω | 0.3405 | Relay (1.0) Calculated Property | |
| ΔfG° | 105.17 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 1.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 50.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.93 | eV | NIST |
| log10WS | -3.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.982 | Crippen Calculated Property | |
| McVol | 120.470 | ml/mol | McGowan Calculated Property |
| Pc | 3075.97 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1100.00; 1101.00] |
|
|
| Inp | 1100.00 | NIST | |
| Inp | 1101.00 | NIST | |
| Inp | 1100.00 | NIST | |
| Inp | 1100.00 | NIST | |
| Tboil | 458.68 | K | Relay (1.0) Calculated Property |
| Tc | 680.76 | K | Relay (1.0) Calculated Property |
| Tfus | 314.25 | K | Relay (1.0) Calculated Property |
| Vc | 0.438 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Tetramethylthiophene.
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
- McGowan Method
- NIST Webbook
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