- InChI
- InChI=1S/C8H7BrFNO/c9-5-8(12)11-7-3-1-6(10)2-4-7/h1-4H,5H2,(H,11,12)
- InChI Key
- JXUWYCOGYOQUST-UHFFFAOYSA-N
- Formula
- C8H7BrFNO
- SMILES
- O=C(CBr)Nc1ccc(F)cc1
- Molecular Weight1
- 232.05
- 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° | -100.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -212.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.14 | kJ/mol | Joback Calculated Property |
| log10WS | -2.44 | Crippen Calculated Property | |
| logPoct/wat | 2.159 | Crippen Calculated Property | |
| McVol | 130.640 | ml/mol | McGowan Calculated Property |
| Pc | 4056.96 | kPa | Joback Calculated Property |
| Inp | 1525.00 | NIST | |
| Tboil | 583.57 | K | Joback Calculated Property |
| Tc | 809.93 | K | Joback Calculated Property |
| Tfus | 381.84 | K | Joback Calculated Property |
| Vc | 0.496 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [275.72; 325.75] | J/mol×K | [583.57; 809.93] | 
|
| Cp,gas | 275.72 | J/mol×K | 583.57 | Joback Calculated Property |
| Cp,gas | 285.77 | J/mol×K | 621.30 | Joback Calculated Property |
| Cp,gas | 295.08 | J/mol×K | 659.02 | Joback Calculated Property |
| Cp,gas | 303.69 | J/mol×K | 696.75 | Joback Calculated Property |
| Cp,gas | 311.64 | J/mol×K | 734.48 | Joback Calculated Property |
| Cp,gas | 318.99 | J/mol×K | 772.20 | Joback Calculated Property |
| Cp,gas | 325.75 | J/mol×K | 809.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetamide, N-(4-fluorophenyl)-2-bromo-.
Sources
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