- InChI
- InChI=1S/C17H10N4O5S2/c22-16-15(9-11-3-1-5-13(7-11)20(23)24)28-17(27)19(16)18-10-12-4-2-6-14(8-12)21(25)26/h1-10H/b15-9+,18-10+
- InChI Key
- XQXVZALZZYMHOR-HJSNDYAYSA-N
- Formula
- C17H10N4O5S2
- SMILES
-
O=C1C(=Cc2cccc([N+](=O)[O-])c2
)SC(=S)N1N=Cc1cccc([N+](=O)[O- ])c1 - Molecular Weight1
- 414.42
- CAS
- 17521-29-8
- 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 | 0.8770 | Relay (1.0) Calculated Property | |
| ΔfG° | 398.27 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 350.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 131.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.738 | Crippen Calculated Property | |
| McVol | 268.180 | ml/mol | McGowan Calculated Property |
| Pc | 2575.34 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 714.68 | K | Relay (1.0) Calculated Property |
| Tc | 1142.10 | K | Relay (1.0) Calculated Property |
| Tfus | 446.24 | K | Relay (1.0) Calculated Property |
| Vc | 0.879 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Rhodanine, 5-m-nitrobenzylidene-3-m-nitrobenzylideneamino-.
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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