![3-[(methylthio)methyl]pyridine](/cid/17-827-5/3-methylthio-methyl-pyridine.png "3-[(methylthio)methyl]pyridine")
- InChI
- InChI=1S/C7H9NS/c1-9-6-7-3-2-4-8-5-7/h2-5H,6H2,1H3
- InChI Key
- DMBKVOYJOGETRJ-UHFFFAOYSA-N
- Formula
- C7H9NS
- SMILES
- CSCc1cccnc1
- Molecular Weight1
- 139.22
- CAS
- 69966-44-5
- 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 | 0.3443 | Relay (1.0) Calculated Property | |
| ΔfG° | 188.26 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 127.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 61.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.97 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.945 | Crippen Calculated Property | |
| McVol | 112.060 | ml/mol | McGowan Calculated Property |
| Pc | 3946.19 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1243.00 | NIST | |
| Tboil | 504.89 | K | Relay (1.0) Calculated Property |
| Tc | 743.40 | K | Relay (1.0) Calculated Property |
| Tfus | 266.92 | K | Relay (1.0) Calculated Property |
| Vc | 0.386 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3-[(methylthio)methyl]pyridine.
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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