- InChI
- InChI=1S/C9H9BrINO/c1-6-2-3-8(7(11)4-6)12-9(13)5-10/h2-4H,5H2,1H3,(H,12,13)
- InChI Key
- PFOSUYUQTYUGIF-UHFFFAOYSA-N
- Formula
- C9H9BrINO
- SMILES
- Cc1ccc(NC(=O)CBr)c(I)c1
- Molecular Weight1
- 353.98
- 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° | 150.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 28.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.22 | kJ/mol | Joback Calculated Property |
| log10WS | -3.73 | Crippen Calculated Property | |
| logPoct/wat | 2.933 | Crippen Calculated Property | |
| McVol | 168.780 | ml/mol | McGowan Calculated Property |
| Pc | 3637.73 | kPa | Joback Calculated Property |
| Inp | 2027.00 | NIST | |
| Tboil | 705.30 | K | Joback Calculated Property |
| Tc | 965.99 | K | Joback Calculated Property |
| Tfus | 463.10 | K | Joback Calculated Property |
| Vc | 0.623 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [350.20; 398.43] | J/mol×K | [705.30; 965.99] | 
|
| Cp,gas | 350.20 | J/mol×K | 705.30 | Joback Calculated Property |
| Cp,gas | 360.03 | J/mol×K | 748.75 | Joback Calculated Property |
| Cp,gas | 369.05 | J/mol×K | 792.20 | Joback Calculated Property |
| Cp,gas | 377.32 | J/mol×K | 835.64 | Joback Calculated Property |
| Cp,gas | 384.93 | J/mol×K | 879.09 | Joback Calculated Property |
| Cp,gas | 391.94 | J/mol×K | 922.54 | Joback Calculated Property |
| Cp,gas | 398.43 | J/mol×K | 965.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetamide, N-(2-iodo-4-methylphenyl)-2-bromo-.
Sources
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