- InChI
- InChI=1S/C9H7NOS/c10-7-12-6-9(11)8-4-2-1-3-5-8/h1-5H,6H2
- InChI Key
- DLLVIJACDVJDIP-UHFFFAOYSA-N
- Formula
- C9H7NOS
- SMILES
- N#CSCC(=O)c1ccccc1
- Molecular Weight1
- 177.22
- CAS
- 5399-30-4
- 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° | 174.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 101.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.94 | kJ/mol | Joback Calculated Property |
| log10WS | -2.80 | Crippen Calculated Property | |
| logPoct/wat | 2.084 | Crippen Calculated Property | |
| McVol | 133.210 | ml/mol | McGowan Calculated Property |
| Pc | 3476.55 | kPa | Joback Calculated Property |
| Tboil | 656.73 | K | Joback Calculated Property |
| Tc | 910.29 | K | Joback Calculated Property |
| Tfus | 366.93 | K | Joback Calculated Property |
| Vc | 0.517 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [298.70; 346.60] | J/mol×K | [656.73; 910.29] | 
|
| Cp,gas | 298.70 | J/mol×K | 656.73 | Joback Calculated Property |
| Cp,gas | 308.73 | J/mol×K | 698.99 | Joback Calculated Property |
| Cp,gas | 317.89 | J/mol×K | 741.25 | Joback Calculated Property |
| Cp,gas | 326.23 | J/mol×K | 783.51 | Joback Calculated Property |
| Cp,gas | 333.77 | J/mol×K | 825.77 | Joback Calculated Property |
| Cp,gas | 340.54 | J/mol×K | 868.03 | Joback Calculated Property |
| Cp,gas | 346.60 | J/mol×K | 910.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenacyl thiocyanate.
Sources
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