- InChI
- InChI=1S/C10H10N2O2S/c1-6(13)11-10-12-8-4-3-7(14-2)5-9(8)15-10/h3-5H,1-2H3,(H,11,12,13)
- InChI Key
- ZLUZZGHIYZIXRE-UHFFFAOYSA-N
- Formula
- C10H10N2O2S
- SMILES
- COc1ccc2nc(NC(C)=O)sc2c1
- Molecular Weight1
- 222.26
- Other Names
-
- N-(6-Methoxy-benzothiazol-2-yl)-acetamide
- 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 | 0.6281 | Relay (1.0) Calculated Property | |
| ΔfG° | 48.13 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -181.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 104.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.263 | Crippen Calculated Property | |
| McVol | 156.590 | ml/mol | McGowan Calculated Property |
| Pc | 4144.90 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2243.00; 2243.00] |
|
|
| Inp | 2243.00 | NIST | |
| Inp | 2243.00 | NIST | |
| Tboil | 615.84 | K | Relay (1.0) Calculated Property |
| Tc | 890.72 | K | Relay (1.0) Calculated Property |
| Tfus | 435.96 | K | Relay (1.0) Calculated Property |
| Vc | 0.574 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to N-(6-Methoxy-1,3-benzothiazol-2-yl)acetamide.
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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