- InChI
- InChI=1S/C7H10S/c1-5-4-6(2)8-7(5)3/h4H,1-3H3
- InChI Key
- QKZJQIHBRCFDGQ-UHFFFAOYSA-N
- Formula
- C7H10S
- SMILES
- Cc1cc(C)c(C)s1
- Molecular Weight1
- 126.22
- CAS
- 1795-05-7
- Other Names
-
- Thiophene, 2,3,5-trimethyl-
- 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 | 0.3200 | Relay (1.0) Calculated Property | |
| ΔfG° | 98.88 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 20.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 45.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.673 | Crippen Calculated Property | |
| McVol | 106.380 | ml/mol | McGowan Calculated Property |
| Pc | 3561.85 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [959.00; 967.00] |
|
|
| Inp | 959.00 | NIST | |
| Inp | 967.00 | NIST | |
| Inp | 966.00 | NIST | |
| Inp | 967.00 | NIST | |
| Inp | 966.00 | NIST | |
| Inp | 967.00 | NIST | |
| Inp | 959.00 | NIST | |
| Inp | 967.00 | NIST | |
| Tboil | 432.07 | K | Relay (1.0) Calculated Property |
| Tc | 645.18 | K | Relay (1.0) Calculated Property |
| Tfus | 241.87 | K | Relay (1.0) Calculated Property |
| Vc | 0.389 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,5-Trimethylthiophene.
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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