- InChI
- InChI=1S/C9H11NOS2/c11-8-7(13-9(12)10-8)6-4-2-1-3-5-6/h1-5H2,(H,10,11,12)
- InChI Key
- GFDLUSAUGSDHAD-UHFFFAOYSA-N
- Formula
- C9H11NOS2
- SMILES
- O=C1NC(=S)SC1=C1CCCCC1
- Molecular Weight1
- 213.32
- CAS
- 3698-06-4
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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 |
|---|---|---|---|
| ΔfG° | 207.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 21.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.84 | kJ/mol | Joback Calculated Property |
| log10WS | -3.92 | Crippen Calculated Property | |
| logPoct/wat | 2.353 | Crippen Calculated Property | |
| McVol | 151.600 | ml/mol | McGowan Calculated Property |
| Pc | 4403.25 | kPa | Joback Calculated Property |
| Tboil | 695.45 | K | Joback Calculated Property |
| Tc | 986.48 | K | Joback Calculated Property |
| Tfus | 564.12 | K | Joback Calculated Property |
| Vc | 0.529 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [375.30; 447.41] | J/mol×K | [695.45; 986.48] | 
|
| Cp,gas | 375.30 | J/mol×K | 695.45 | Joback Calculated Property |
| Cp,gas | 390.37 | J/mol×K | 743.95 | Joback Calculated Property |
| Cp,gas | 404.15 | J/mol×K | 792.46 | Joback Calculated Property |
| Cp,gas | 416.69 | J/mol×K | 840.96 | Joback Calculated Property |
| Cp,gas | 428.05 | J/mol×K | 889.47 | Joback Calculated Property |
| Cp,gas | 438.27 | J/mol×K | 937.97 | Joback Calculated Property |
| Cp,gas | 447.41 | J/mol×K | 986.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Rhodanine, 5-cyclohexylidene-.
Sources
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