- InChI
- InChI=1S/C8H7BrClNO/c9-5-8(12)11-7-3-1-2-6(10)4-7/h1-4H,5H2,(H,11,12)
- InChI Key
- JUHGYNTUFGSUQV-UHFFFAOYSA-N
- Formula
- C8H7BrClNO
- SMILES
- O=C(CBr)Nc1cccc(Cl)c1
- Molecular Weight1
- 248.50
- 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 | 0.6047 | Relay (1.0) Calculated Property | |
| ΔfG° | 82.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -139.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.673 | Crippen Calculated Property | |
| McVol | 141.110 | ml/mol | McGowan Calculated Property |
| Pc | 4098.62 | kPa | Joback Calculated Property |
| Inp | 1724.00 | NIST | |
| Tboil | 585.05 | K | Relay (1.0) Calculated Property |
| Tc | 846.75 | K | Relay (1.0) Calculated Property |
| Tfus | 376.44 | K | Relay (1.0) Calculated Property |
| Vc | 0.479 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [288.84; 336.11] | J/mol×K | [621.73; 863.34] | 
|
| Cp,gas | 288.84 | J/mol×K | 621.73 | Joback Calculated Property |
| Cp,gas | 298.50 | J/mol×K | 662.00 | Joback Calculated Property |
| Cp,gas | 307.39 | J/mol×K | 702.27 | Joback Calculated Property |
| Cp,gas | 315.54 | J/mol×K | 742.53 | Joback Calculated Property |
| Cp,gas | 323.01 | J/mol×K | 782.80 | Joback Calculated Property |
| Cp,gas | 329.85 | J/mol×K | 823.07 | Joback Calculated Property |
| Cp,gas | 336.11 | J/mol×K | 863.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetamide, N-(3-chlorophenyl)-2-bromo-.
Sources
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