- InChI
- InChI=1S/C9H7ClOS/c1-5-2-6(10)3-8-9(5)7(11)4-12-8/h2-4,11H,1H3
- InChI Key
- DKYFBPUTEGRWLF-UHFFFAOYSA-N
- Formula
- C9H7ClOS
- SMILES
- Cc1cc(Cl)cc2scc(O)c12
- Molecular Weight1
- 198.67
- CAS
- 5340-96-5
- 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).
- 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 | 0.5650 | Relay (1.0) Calculated Property | |
| ΔfG° | -2.67 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -76.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 85.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.569 | Crippen Calculated Property | |
| McVol | 133.210 | ml/mol | McGowan Calculated Property |
| Pc | 5102.62 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 569.45 | K | Relay (1.0) Calculated Property |
| Tc | 866.19 | K | Relay (1.0) Calculated Property |
| Tfus | 401.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.458 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
![6H-Dibenzo[a,g]quinolizine-2,9-diol, 5,8,13,13a-tetrahydro-3,10-dimethoxy-, (.+/-.)-.](data:image/png;base64,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)
Find more compounds similar to 3-Hydroxy-4-methyl-6-chloro-thionaphthene.
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- NIST Webbook
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