- InChI
- InChI=1S/C14H12FNO/c15-12-8-4-5-9-13(12)16-14(17)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17)
- InChI Key
- DKSLNHVRCOUVSJ-UHFFFAOYSA-N
- Formula
- C14H12FNO
- SMILES
- O=C(Cc1ccccc1)Nc1ccccc1F
- Molecular Weight1
- 229.25
- 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° | 47.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -125.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.34 | kJ/mol | Joback Calculated Property |
| log10WS | -3.62 | Crippen Calculated Property | |
| logPoct/wat | 3.007 | Crippen Calculated Property | |
| McVol | 173.920 | ml/mol | McGowan Calculated Property |
| Pc | 2817.33 | kPa | Joback Calculated Property |
| Inp | [1869.00; 1869.00] |
|
|
| Inp | 1869.00 | NIST | |
| Inp | 1869.00 | NIST | |
| Tboil | 681.37 | K | Joback Calculated Property |
| Tc | 914.81 | K | Joback Calculated Property |
| Tfus | 416.08 | K | Joback Calculated Property |
| Vc | 0.662 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [448.30; 517.21] | J/mol×K | [681.37; 914.81] |
|
| Cp,gas | 448.30 | J/mol×K | 681.37 | Joback Calculated Property |
| Cp,gas | 462.37 | J/mol×K | 720.28 | Joback Calculated Property |
| Cp,gas | 475.33 | J/mol×K | 759.18 | Joback Calculated Property |
| Cp,gas | 487.22 | J/mol×K | 798.09 | Joback Calculated Property |
| Cp,gas | 498.12 | J/mol×K | 837.00 | Joback Calculated Property |
| Cp,gas | 508.10 | J/mol×K | 875.90 | Joback Calculated Property |
| Cp,gas | 517.21 | J/mol×K | 914.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenylacetamide, N-(2-fluorophenyl)-.
Sources
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