- InChI
- InChI=1S/C15H11BrOS/c16-13-8-6-11(7-9-13)14(17)10-15(18)12-4-2-1-3-5-12/h1-10,17H/b14-10-
- InChI Key
- KREPOKDTPLAMIN-UVTDQMKNSA-N
- Formula
- C15H11BrOS
- SMILES
-
OC(=CC(=S)c1ccccc1)c1ccc(Br)cc
1 - Molecular Weight1
- 319.22
- CAS
- 76526-07-3
- 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° | 356.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 236.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.08 | kJ/mol | Joback Calculated Property |
| log10WS | -5.77 | Crippen Calculated Property | |
| logPoct/wat | 4.766 | Crippen Calculated Property | |
| McVol | 205.810 | ml/mol | McGowan Calculated Property |
| Pc | 3456.14 | kPa | Joback Calculated Property |
| Tboil | 833.36 | K | Joback Calculated Property |
| Tc | 1091.05 | K | Joback Calculated Property |
| Tfus | 460.02 | K | Joback Calculated Property |
| Vc | 0.757 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [506.81; 564.81] | J/mol×K | [833.36; 1091.05] | 
|
| Cp,gas | 506.81 | J/mol×K | 833.36 | Joback Calculated Property |
| Cp,gas | 517.28 | J/mol×K | 876.31 | Joback Calculated Property |
| Cp,gas | 527.17 | J/mol×K | 919.26 | Joback Calculated Property |
| Cp,gas | 536.68 | J/mol×K | 962.21 | Joback Calculated Property |
| Cp,gas | 546.00 | J/mol×K | 1005.15 | Joback Calculated Property |
| Cp,gas | 555.32 | J/mol×K | 1048.10 | Joback Calculated Property |
| Cp,gas | 564.81 | J/mol×K | 1091.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Z) 1-(4-Bromophenyl)-3-phenyl-3-thioxo-1-propen-1-ol.
Sources
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