- InChI
- InChI=1S/C6H7NOS2/c1-3(2)4-5(8)7-6(9)10-4/h1-2H3,(H,7,8,9)
- InChI Key
- MZEPNNPNBSNIER-UHFFFAOYSA-N
- Formula
- C6H7NOS2
- SMILES
- CC(C)=C1SC(=S)NC1=O
- Molecular Weight1
- 173.26
- CAS
- 28989-47-1
- 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° | 176.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 40.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.68 | kJ/mol | Joback Calculated Property |
| log10WS | -2.77 | Crippen Calculated Property | |
| logPoct/wat | 1.428 | Crippen Calculated Property | |
| McVol | 120.190 | ml/mol | McGowan Calculated Property |
| Pc | 4897.06 | kPa | Joback Calculated Property |
| Tboil | 599.99 | K | Joback Calculated Property |
| Tc | 871.99 | K | Joback Calculated Property |
| Tfus | 489.29 | K | Joback Calculated Property |
| Vc | 0.425 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [249.34; 301.94] | J/mol×K | [599.99; 871.99] | 
|
| Cp,gas | 249.34 | J/mol×K | 599.99 | Joback Calculated Property |
| Cp,gas | 259.70 | J/mol×K | 645.32 | Joback Calculated Property |
| Cp,gas | 269.38 | J/mol×K | 690.66 | Joback Calculated Property |
| Cp,gas | 278.41 | J/mol×K | 735.99 | Joback Calculated Property |
| Cp,gas | 286.83 | J/mol×K | 781.32 | Joback Calculated Property |
| Cp,gas | 294.66 | J/mol×K | 826.66 | Joback Calculated Property |
| Cp,gas | 301.94 | J/mol×K | 871.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Rhodanine, 5-isopropylidene-.
Sources
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