- InChI
- InChI=1S/C18H16N2OS2/c1-19(2)14-10-8-13(9-11-14)12-16-17(21)20(18(22)23-16)15-6-4-3-5-7-15/h3-12H,1-2H3/b16-12+
- InChI Key
- JOYWVNFXPQUIAZ-FOWTUZBSSA-N
- Formula
- C18H16N2OS2
- SMILES
-
CN(C)c1ccc(C=C2SC(=S)N(c3ccccc
3)C2=O)cc1 - Molecular Weight1
- 340.46
- CAS
- 3698-12-2
- 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 | 0.6302 | Relay (1.0) Calculated Property | |
| ΔfG° | 286.43 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 234.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 114.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 6.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.158 | Crippen Calculated Property | |
| McVol | 251.730 | ml/mol | McGowan Calculated Property |
| Pc | 2005.08 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 701.77 | K | Relay (1.0) Calculated Property |
| Tc | 1037.75 | K | Relay (1.0) Calculated Property |
| Tfus | 473.52 | K | Relay (1.0) Calculated Property |
| Vc | 0.862 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Rhodanine, 5-(p-dimethylaminobenzylidene)-3-phenyl.
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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