- InChI
- InChI=1S/C10H11BrINO/c1-6-3-4-9(8(12)5-6)13-10(14)7(2)11/h3-5,7H,1-2H3,(H,13,14)
- InChI Key
- YEXPUYZNKNLKNE-UHFFFAOYSA-N
- Formula
- C10H11BrINO
- SMILES
- Cc1ccc(NC(=O)C(C)Br)c(I)c1
- Molecular Weight1
- 368.01
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5849 | Relay (1.0) Calculated Property | |
| ΔfG° | 156.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -71.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.322 | Crippen Calculated Property | |
| McVol | 182.870 | ml/mol | McGowan Calculated Property |
| Pc | 3280.28 | kPa | Joback Calculated Property |
| Inp | 2042.00 | NIST | |
| Tboil | 603.87 | K | Relay (1.0) Calculated Property |
| Tc | 870.24 | K | Relay (1.0) Calculated Property |
| Tfus | 422.94 | K | Relay (1.0) Calculated Property |
| Vc | 0.601 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [400.12; 453.37] | J/mol×K | [727.74; 987.66] | 
|
| Cp,gas | 400.12 | J/mol×K | 727.74 | Joback Calculated Property |
| Cp,gas | 410.96 | J/mol×K | 771.06 | Joback Calculated Property |
| Cp,gas | 420.91 | J/mol×K | 814.38 | Joback Calculated Property |
| Cp,gas | 430.05 | J/mol×K | 857.70 | Joback Calculated Property |
| Cp,gas | 438.46 | J/mol×K | 901.02 | Joback Calculated Property |
| Cp,gas | 446.20 | J/mol×K | 944.34 | Joback Calculated Property |
| Cp,gas | 453.37 | J/mol×K | 987.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N-(2-iodo-4-methylphenyl)-2-bromo-.
Sources
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