- InChI
- InChI=1S/C12H20S/c1-4-5-11-8-9-12(13-11)7-6-10(2)3/h8-10H,4-7H2,1-3H3
- InChI Key
- AEAISDGNZHADFV-UHFFFAOYSA-N
- Formula
- C12H20S
- SMILES
- CCCc1ccc(CCC(C)C)s1
- Molecular Weight1
- 196.35
- CAS
- 54845-34-0
- Other Names
-
- 2-Isopentyl-5-propylthiophene
- 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 | 0.5018 | Relay (1.0) Calculated Property | |
| ΔfG° | 107.73 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -82.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 64.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.289 | Crippen Calculated Property | |
| McVol | 176.830 | ml/mol | McGowan Calculated Property |
| Pc | 2123.82 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1439.00 | NIST | |
| Tboil | 516.25 | K | Relay (1.0) Calculated Property |
| Tc | 707.31 | K | Relay (1.0) Calculated Property |
| Tfus | 241.12 | K | Relay (1.0) Calculated Property |
| Vc | 0.663 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Thiophene, 2-(3-methylbutyl)-5-propyl-.
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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