- InChI
- InChI=1S/C15H15NOS2/c17-14-13(11-7-3-1-4-8-11)19-15(18)16(14)12-9-5-2-6-10-12/h2,5-6,9-10H,1,3-4,7-8H2
- InChI Key
- OLTSSWCGWALRTA-UHFFFAOYSA-N
- Formula
- C15H15NOS2
- SMILES
-
O=C1C(=C2CCCCC2)SC(=S)N1c1cccc
c1 - Molecular Weight1
- 289.42
- CAS
- 35610-74-3
- 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 | 0.4943 | Relay (1.0) Calculated Property | |
| ΔfG° | 154.07 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 55.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 97.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.269 | Crippen Calculated Property | |
| McVol | 212.380 | ml/mol | McGowan Calculated Property |
| Pc | 2254.43 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 654.80 | K | Relay (1.0) Calculated Property |
| Tc | 950.32 | K | Relay (1.0) Calculated Property |
| Tfus | 455.73 | K | Relay (1.0) Calculated Property |
| Vc | 0.711 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Rhodanine, 5-cyclohexylidene-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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