- InChI
- InChI=1S/C13H9NOS/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13/h1-8,15H
- InChI Key
- MVVGSPCXHRFDDR-UHFFFAOYSA-N
- Formula
- C13H9NOS
- SMILES
- Oc1ccccc1-c1nc2ccccc2s1
- Molecular Weight1
- 227.28
- CAS
- 3411-95-8
- Other Names
-
- 2-(2'-Hydroxyphenyl)benzothiazole
- 2-(2-Benzothiazolyl)phenol
- 2-(2-hydroxyphenyl)-1,3-benzothiazole
- 2-(2-hydroxyphenyl)benzothiazole
- 2-(benzo[d]thiazol-2-yl)phenol
- 2-(o-Hydroxyphenyl)benzothiazole
- 2-benzothiazol-2-ylphenol
- NSC 5051
- NSC 58548
- Phenol, o-2-benzothiazolyl-
- o-(2-Benzothiazolyl)phenol
- o-(2-Benzothiazoyl)phenol
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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 | 0.6183 | Relay (... Calculated Property | |
| ΔfG° | 194.75 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 127.89 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 102.66 | kJ/mol | Relay (... Calculated Property |
| IE | 7.80 | eV | Relay (... Calculated Property |
| log10WS | -3.75 | Relay (... Calculated Property | |
| logPoct/wat | 3.669 | Crippen Calculated Property | |
| McVol | 163.550 | ml/mol | McGowan Calculated Property |
| Pc | 5193.65 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 639.57 | K | Relay (... Calculated Property |
| Tc | 969.10 | K | Relay (... Calculated Property |
| Tfus | 439.22 | K | Relay (... Calculated Property |
| Vc | 0.598 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 105.00 | kJ/mol | 298.15 | Thermoc... |
Similar Compounds
Find more compounds similar to Phenol, 2-(2-benzothiazolyl)-.
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
- Thermochemical and conformational study of optical active phenylbenzazole derivatives
- McGowan Method
- NIST Webbook
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