- InChI
- InChI=1S/C17H10Cl2N2OS2/c18-13-5-1-11(2-6-13)9-15-16(22)21(17(23)24-15)20-10-12-3-7-14(19)8-4-12/h1-10H/b15-9+,20-10+
- InChI Key
- WDEDNBRHAZYXPU-SABIUBGXSA-N
- Formula
- C17H10Cl2N2OS2
- SMILES
-
O=C1C(=Cc2ccc(Cl)cc2)SC(=S)N1N
=Cc1ccc(Cl)cc1 - Molecular Weight1
- 393.31
- CAS
- 17521-25-4
- 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 | 0.6542 | Relay (1.0) Calculated Property | |
| ΔfG° | 254.44 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 297.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 123.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.229 | Crippen Calculated Property | |
| McVol | 257.820 | ml/mol | McGowan Calculated Property |
| Pc | 2481.39 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 709.30 | K | Relay (1.0) Calculated Property |
| Tc | 1057.55 | K | Relay (1.0) Calculated Property |
| Tfus | 453.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.855 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Rhodanine, 5-(p-chlorobenzylidene)-3-(p-chlorobenzylideneamino)-.
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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