- InChI
- InChI=1S/C9H9BrFNO/c1-6(10)9(13)12-8-4-2-7(11)3-5-8/h2-6H,1H3,(H,12,13)
- InChI Key
- ZYPHUTLRFAVKHO-UHFFFAOYSA-N
- Formula
- C9H9BrFNO
- SMILES
- CC(Br)C(=O)Nc1ccc(F)cc1
- Molecular Weight1
- 246.08
- 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 | 0.5590 | Relay (1.0) Calculated Property | |
| ΔfG° | -94.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -314.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.548 | Crippen Calculated Property | |
| McVol | 144.730 | ml/mol | McGowan Calculated Property |
| Pc | 3637.73 | kPa | Joback Calculated Property |
| Inp | 1537.00 | NIST | |
| Tboil | 552.04 | K | Relay (1.0) Calculated Property |
| Tc | 791.09 | K | Relay (1.0) Calculated Property |
| Tfus | 399.97 | K | Relay (1.0) Calculated Property |
| Vc | 0.501 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [321.74; 377.70] | J/mol×K | [606.01; 832.91] | 
|
| Cp,gas | 321.74 | J/mol×K | 606.01 | Joback Calculated Property |
| Cp,gas | 332.96 | J/mol×K | 643.83 | Joback Calculated Property |
| Cp,gas | 343.37 | J/mol×K | 681.64 | Joback Calculated Property |
| Cp,gas | 353.00 | J/mol×K | 719.46 | Joback Calculated Property |
| Cp,gas | 361.90 | J/mol×K | 757.27 | Joback Calculated Property |
| Cp,gas | 370.12 | J/mol×K | 795.09 | Joback Calculated Property |
| Cp,gas | 377.70 | J/mol×K | 832.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N-(4-fluorophenyl)-2-bromo-.
Sources
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