![Benzo[b]thiophene-3-ethylamine, alpha-methyl-](/cid/94-579-6/Benzo-b-thiophene-3-ethylamine-alpha-methyl.png "Benzo[b]thiophene-3-ethylamine, alpha-methyl-")
- InChI
- InChI=1S/C11H13NS/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8H,6,12H2,1H3
- InChI Key
- NJJBOBSLFFUELD-UHFFFAOYSA-N
- Formula
- C11H13NS
- SMILES
- CC(N)Cc1csc2ccccc12
- Molecular Weight1
- 191.29
- CAS
- 1201-27-0
- 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).
- 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 | 0.5110 | Relay (1.0) Calculated Property | |
| ΔfG° | 246.38 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 82.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 76.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.791 | Crippen Calculated Property | |
| McVol | 153.260 | ml/mol | McGowan Calculated Property |
| Pc | 3102.50 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 578.64 | K | Relay (1.0) Calculated Property |
| Tc | 820.85 | K | Relay (1.0) Calculated Property |
| Tfus | 337.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.542 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Benzo[b]thiophene-3-ethylamine, alpha-methyl-.
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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