- InChI
- InChI=1S/C12H20S/c1-9(2)7-11-5-6-12(13-11)8-10(3)4/h5-6,9-10H,7-8H2,1-4H3
- InChI Key
- DUKLFSDDEVHMJB-UHFFFAOYSA-N
- Formula
- C12H20S
- SMILES
- CC(C)Cc1ccc(CC(C)C)s1
- Molecular Weight1
- 196.35
- CAS
- 54845-33-9
- Other Names
-
- 2,5-bis (2-methylpropyl)-thiophene
- 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 | 0.4892 | Relay (1.0) Calculated Property | |
| ΔfG° | 112.18 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -113.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 61.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.145 | Crippen Calculated Property | |
| McVol | 176.830 | ml/mol | McGowan Calculated Property |
| Pc | 2198.38 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1533.00 | NIST | |
| Tboil | 504.25 | K | Relay (1.0) Calculated Property |
| Tc | 699.93 | K | Relay (1.0) Calculated Property |
| Tfus | 273.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.664 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Thiophene, 2,5-bis(2-methylpropyl)-.
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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