- InChI
- InChI=1S/C15H21N3OS/c1-17(2)9-10-18(15-16-8-11-20-15)12-13-4-6-14(19-3)7-5-13/h4-8,11H,9-10,12H2,1-3H3
- InChI Key
- KYBJXENQEZJILU-UHFFFAOYSA-N
- Formula
- C15H21N3OS
- SMILES
- COc1ccc(CN(CCN(C)C)c2nccs2)cc1
- Molecular Weight1
- 291.41
- CAS
- 1155-03-9
- 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 | 0.6887 | Relay (1.0) Calculated Property | |
| ΔfG° | 373.75 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 131.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 99.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.720 | Crippen Calculated Property | |
| McVol | 231.150 | ml/mol | McGowan Calculated Property |
| Pc | 2048.40 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2193.00; 2193.00] |
|
|
| Inp | 2193.00 | NIST | |
| Inp | 2193.00 | NIST | |
| Inp | 2193.00 | NIST | |
| Tboil | 646.14 | K | Relay (1.0) Calculated Property |
| Tc | 870.65 | K | Relay (1.0) Calculated Property |
| Tfus | 327.67 | K | Relay (1.0) Calculated Property |
| Vc | 0.834 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Zolamine.
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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