- InChI
- InChI=1S/C12H12N4O3S/c1-9(17)15-10-3-5-11(6-4-10)20(18,19)16-12-13-7-2-8-14-12/h2-8H,1H3,(H,15,17)(H,13,14,16)
- InChI Key
- NJIZUWGMNCUKGU-UHFFFAOYSA-N
- Formula
- C12H12N4O3S
- SMILES
-
CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn
2)cc1 - Molecular Weight1
- 292.31
- 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 | 0.7683 | Relay (1.0) Calculated Property | |
| ΔfG° | 106.24 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -249.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 124.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.236 | Crippen Calculated Property | |
| McVol | 202.000 | ml/mol | McGowan Calculated Property |
| Pc | 4287.30 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2858.00 | NIST | |
| Tboil | 673.51 | K | Relay (1.0) Calculated Property |
| Tc | 1051.03 | K | Relay (1.0) Calculated Property |
| Tfus | 514.76 | K | Relay (1.0) Calculated Property |
| Vc | 0.706 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to N4-Acetyl sulfadiazin.
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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