- InChI
- InChI=1S/C7H5NO2S/c8-4-11-5-1-2-6(9)7(10)3-5/h1-3,9-10H
- InChI Key
- VRLFTHKJVNALNA-UHFFFAOYSA-N
- Formula
- C7H5NO2S
- SMILES
- N#CSc1ccc(O)c(O)c1
- Molecular Weight1
- 167.19
- CAS
- 5393-22-6
- 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° | -22.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -99.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.78 | kJ/mol | Joback Calculated Property |
| log10WS | -1.67 | Crippen Calculated Property | |
| logPoct/wat | 1.671 | Crippen Calculated Property | |
| McVol | 115.200 | ml/mol | McGowan Calculated Property |
| Pc | 6209.79 | kPa | Joback Calculated Property |
| Tboil | 718.34 | K | Joback Calculated Property |
| Tc | 992.90 | K | Joback Calculated Property |
| Tfus | 517.90 | K | Joback Calculated Property |
| Vc | 0.332 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [270.51; 308.73] | J/mol×K | [718.34; 992.90] | 
|
| Cp,gas | 270.51 | J/mol×K | 718.34 | Joback Calculated Property |
| Cp,gas | 277.02 | J/mol×K | 764.10 | Joback Calculated Property |
| Cp,gas | 283.22 | J/mol×K | 809.86 | Joback Calculated Property |
| Cp,gas | 289.30 | J/mol×K | 855.62 | Joback Calculated Property |
| Cp,gas | 295.45 | J/mol×K | 901.38 | Joback Calculated Property |
| Cp,gas | 301.87 | J/mol×K | 947.14 | Joback Calculated Property |
| Cp,gas | 308.73 | J/mol×K | 992.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Dihydroxyphenyl thiocyanate.
Sources
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