- InChI
- InChI=1S/C14H12FNO2/c1-18-13-8-6-12(7-9-13)16-14(17)10-2-4-11(15)5-3-10/h2-9H,1H3,(H,16,17)
- InChI Key
- JUEQLTHFAHLSAQ-UHFFFAOYSA-N
- Formula
- C14H12FNO2
- SMILES
- COc1ccc(NC(=O)c2ccc(F)cc2)cc1
- Molecular Weight1
- 245.25
- 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° | -66.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -269.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.41 | kJ/mol | Joback Calculated Property |
| log10WS | -3.90 | Crippen Calculated Property | |
| logPoct/wat | 3.087 | Crippen Calculated Property | |
| McVol | 179.790 | ml/mol | McGowan Calculated Property |
| Pc | 2724.01 | kPa | Joback Calculated Property |
| Inp | [2174.00; 2174.00] |
|
|
| Inp | 2174.00 | NIST | |
| Inp | 2174.00 | NIST | |
| Tboil | 708.77 | K | Joback Calculated Property |
| Tc | 939.76 | K | Joback Calculated Property |
| Tfus | 450.83 | K | Joback Calculated Property |
| Vc | 0.680 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [472.24; 538.23] | J/mol×K | [708.77; 939.76] |
|
| Cp,gas | 472.24 | J/mol×K | 708.77 | Joback Calculated Property |
| Cp,gas | 485.76 | J/mol×K | 747.27 | Joback Calculated Property |
| Cp,gas | 498.23 | J/mol×K | 785.77 | Joback Calculated Property |
| Cp,gas | 509.67 | J/mol×K | 824.26 | Joback Calculated Property |
| Cp,gas | 520.12 | J/mol×K | 862.76 | Joback Calculated Property |
| Cp,gas | 529.63 | J/mol×K | 901.26 | Joback Calculated Property |
| Cp,gas | 538.23 | J/mol×K | 939.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-(4-methoxyphenyl)-4-fluoro-.
Sources
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