- InChI
- InChI=1S/C8H8N2O2S4/c1-2(3-5(11)9-7(13)15-3)4-6(12)10-8(14)16-4/h2-4H,1H3,(H,9,11,13)(H,10,12,14)
- InChI Key
- CAXCSMMWQXAWSL-UHFFFAOYSA-N
- Formula
- C8H8N2O2S4
- SMILES
- CC(C1SC(=S)NC1=O)C1SC(=S)NC1=O
- Molecular Weight1
- 292.42
- ω : Acentric Factor.
- 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).
- 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 | 0.4912 | Relay (1.0) Calculated Property | |
| ΔfG° | 278.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -294.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 134.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.655 | Crippen Calculated Property | |
| McVol | 181.760 | ml/mol | McGowan Calculated Property |
| Pc | 5235.81 | kPa | Joback Calculated Property |
| Tboil | 591.10 | K | Relay (1.0) Calculated Property |
| Tc | 961.75 | K | Relay (1.0) Calculated Property |
| Tfus | 518.57 | K | Relay (1.0) Calculated Property |
| Vc | 0.561 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [474.12; 518.16] | J/mol×K | [886.24; 1208.21] | 
|
| Cp,gas | 474.12 | J/mol×K | 886.24 | Joback Calculated Property |
| Cp,gas | 485.36 | J/mol×K | 939.90 | Joback Calculated Property |
| Cp,gas | 495.03 | J/mol×K | 993.56 | Joback Calculated Property |
| Cp,gas | 503.15 | J/mol×K | 1047.22 | Joback Calculated Property |
| Cp,gas | 509.70 | J/mol×K | 1100.89 | Joback Calculated Property |
| Cp,gas | 514.70 | J/mol×K | 1154.55 | Joback Calculated Property |
| Cp,gas | 518.16 | J/mol×K | 1208.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Rhodanine, 5,5'-ethylidenedi-.
Sources
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