- InChI
- InChI=1S/C14H12BrNOS/c15-11-6-8-12(9-7-11)16-14(17)10-18-13-4-2-1-3-5-13/h1-9H,10H2,(H,16,17)
- InChI Key
- YQSKUBFOMQDONL-UHFFFAOYSA-N
- Formula
- C14H12BrNOS
- SMILES
- O=C(CSc1ccccc1)Nc1ccc(Br)cc1
- Molecular Weight1
- 322.22
- 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).
- Inp : Non-polar retention indices.
- 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° | 290.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 138.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.41 | kJ/mol | Joback Calculated Property |
| log10WS | -4.81 | Crippen Calculated Property | |
| logPoct/wat | 4.180 | Crippen Calculated Property | |
| McVol | 206.000 | ml/mol | McGowan Calculated Property |
| Pc | 3254.14 | kPa | Joback Calculated Property |
| Inp | 2504.00 | NIST | |
| Tboil | 817.04 | K | Joback Calculated Property |
| Tc | 1086.22 | K | Joback Calculated Property |
| Tfus | 509.69 | K | Joback Calculated Property |
| Vc | 0.760 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [521.95; 576.80] | J/mol×K | [817.04; 1086.22] | 
|
| Cp,gas | 521.95 | J/mol×K | 817.04 | Joback Calculated Property |
| Cp,gas | 533.81 | J/mol×K | 861.90 | Joback Calculated Property |
| Cp,gas | 544.45 | J/mol×K | 906.77 | Joback Calculated Property |
| Cp,gas | 553.96 | J/mol×K | 951.63 | Joback Calculated Property |
| Cp,gas | 562.46 | J/mol×K | 996.49 | Joback Calculated Property |
| Cp,gas | 570.03 | J/mol×K | 1041.35 | Joback Calculated Property |
| Cp,gas | 576.80 | J/mol×K | 1086.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetamide, N-(4-bromophenyl)-2-phenylthio-.
Sources
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