- InChI
- InChI=1S/C15H14FNO/c1-2-11-7-9-12(10-8-11)15(18)17-14-6-4-3-5-13(14)16/h3-10H,2H2,1H3,(H,17,18)
- InChI Key
- DWXWTDWAJVHBQZ-UHFFFAOYSA-N
- Formula
- C15H14FNO
- SMILES
- CCc1ccc(C(=O)Nc2ccccc2F)cc1
- Molecular Weight1
- 243.28
- 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 | 0.6357 | Relay (1.0) Calculated Property | |
| ΔfG° | 46.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -244.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.640 | Crippen Calculated Property | |
| McVol | 188.010 | ml/mol | McGowan Calculated Property |
| Pc | 2512.55 | kPa | Joback Calculated Property |
| Inp | [2067.00; 2067.00] |
|
|
| Inp | 2067.00 | NIST | |
| Inp | 2067.00 | NIST | |
| Tboil | 609.38 | K | Relay (1.0) Calculated Property |
| Tc | 894.23 | K | Relay (1.0) Calculated Property |
| Tfus | 372.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.676 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [498.80; 569.61] | J/mol×K | [709.23; 939.06] |
|
| Cp,gas | 498.80 | J/mol×K | 709.23 | Joback Calculated Property |
| Cp,gas | 513.14 | J/mol×K | 747.54 | Joback Calculated Property |
| Cp,gas | 526.39 | J/mol×K | 785.84 | Joback Calculated Property |
| Cp,gas | 538.60 | J/mol×K | 824.15 | Joback Calculated Property |
| Cp,gas | 549.84 | J/mol×K | 862.45 | Joback Calculated Property |
| Cp,gas | 560.15 | J/mol×K | 900.76 | Joback Calculated Property |
| Cp,gas | 569.61 | J/mol×K | 939.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-(2-fluorophenyl)-4-ethyl-.
Sources
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