- InChI
- InChI=1S/C20H36S/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-20-19(5)14-15-21-20/h14-18H,6-13H2,1-5H3
- InChI Key
- GQSRQFZJEZGNKO-UHFFFAOYSA-N
- Formula
- C20H36S
- SMILES
- Cc1ccsc1CCC(C)CCCC(C)CCCC(C)C
- Molecular Weight1
- 308.56
- CAS
- 102037-88-7
- 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 | 0.7125 | Relay (1.0) Calculated Property | |
| ΔfG° | 183.08 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -311.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 94.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.258 | Crippen Calculated Property | |
| McVol | 289.550 | ml/mol | McGowan Calculated Property |
| Pc | 1285.07 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2110.00; 2139.00] |
|
|
| Inp | 2110.00 | NIST | |
| Inp | 2139.00 | NIST | |
| Inp | 2110.00 | NIST | |
| Tboil | 613.46 | K | Relay (1.0) Calculated Property |
| Tc | 799.92 | K | Relay (1.0) Calculated Property |
| Tfus | 249.63 | K | Relay (1.0) Calculated Property |
| Vc | 1.068 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl-2-(3,7,11-trimethyldodecyl)thiophene.
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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