- InChI
- InChI=1S/C17H18FNO/c1-2-3-4-13-5-7-14(8-6-13)17(20)19-16-11-9-15(18)10-12-16/h5-12H,2-4H2,1H3,(H,19,20)
- InChI Key
- OAGOOTLGQMVWKC-UHFFFAOYSA-N
- Formula
- C17H18FNO
- SMILES
-
CCCCc1ccc(C(=O)Nc2ccc(F)cc2)cc
1 - Molecular Weight1
- 271.33
- 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 | 0.7385 | Relay (1.0) Calculated Property | |
| ΔfG° | 63.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -290.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.421 | Crippen Calculated Property | |
| McVol | 216.190 | ml/mol | McGowan Calculated Property |
| Pc | 2090.75 | kPa | Joback Calculated Property |
| Inp | 2374.00 | NIST | |
| Tboil | 645.65 | K | Relay (1.0) Calculated Property |
| Tc | 905.08 | K | Relay (1.0) Calculated Property |
| Tfus | 380.12 | K | Relay (1.0) Calculated Property |
| Vc | 0.782 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [605.66; 680.41] | J/mol×K | [754.99; 977.23] | 
|
| Cp,gas | 605.66 | J/mol×K | 754.99 | Joback Calculated Property |
| Cp,gas | 620.67 | J/mol×K | 792.03 | Joback Calculated Property |
| Cp,gas | 634.58 | J/mol×K | 829.07 | Joback Calculated Property |
| Cp,gas | 647.45 | J/mol×K | 866.11 | Joback Calculated Property |
| Cp,gas | 659.34 | J/mol×K | 903.15 | Joback Calculated Property |
| Cp,gas | 670.30 | J/mol×K | 940.19 | Joback Calculated Property |
| Cp,gas | 680.41 | J/mol×K | 977.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-(4-fluorophenyl)-4-butyl-.
Sources
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