- InChI
- InChI=1S/C14H12FNO/c1-10-5-4-6-11(9-10)16-14(17)12-7-2-3-8-13(12)15/h2-9H,1H3,(H,16,17)
- InChI Key
- JHPCYAYIVBINEY-UHFFFAOYSA-N
- Formula
- C14H12FNO
- SMILES
- Cc1cccc(NC(=O)c2ccccc2F)c1
- Molecular Weight1
- 229.25
- 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 | 0.6071 | Relay (1.0) Calculated Property | |
| ΔfG° | 38.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -227.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.386 | Crippen Calculated Property | |
| McVol | 173.920 | ml/mol | McGowan Calculated Property |
| Pc | 2773.00 | kPa | Joback Calculated Property |
| Inp | 1952.00 | NIST | |
| Tboil | 608.40 | K | Relay (1.0) Calculated Property |
| Tc | 910.07 | K | Relay (1.0) Calculated Property |
| Tfus | 394.81 | K | Relay (1.0) Calculated Property |
| Vc | 0.630 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [447.17; 515.44] | J/mol×K | [686.35; 920.64] | 
|
| Cp,gas | 447.17 | J/mol×K | 686.35 | Joback Calculated Property |
| Cp,gas | 461.07 | J/mol×K | 725.40 | Joback Calculated Property |
| Cp,gas | 473.88 | J/mol×K | 764.45 | Joback Calculated Property |
| Cp,gas | 485.66 | J/mol×K | 803.49 | Joback Calculated Property |
| Cp,gas | 496.48 | J/mol×K | 842.54 | Joback Calculated Property |
| Cp,gas | 506.39 | J/mol×K | 881.59 | Joback Calculated Property |
| Cp,gas | 515.44 | J/mol×K | 920.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-(3-methylphenyl)-2-fluoro-.
Sources
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