- InChI
- InChI=1S/C13H16FNO/c14-11-6-8-12(9-7-11)15-13(16)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,15,16)
- InChI Key
- RQMDSCPCNJHYJL-UHFFFAOYSA-N
- Formula
- C13H16FNO
- SMILES
- O=C(Nc1ccc(F)cc1)C1CCCCC1
- Molecular Weight1
- 221.27
- 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 | 0.5406 | Relay (... Calculated Property | |
| ΔfG° | -48.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -369.83 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 24.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.41 | kJ/mol | Relay (... Calculated Property |
| IE | 8.33 | eV | Relay (... Calculated Property |
| log10WS | -3.71 | Relay (... Calculated Property | |
| logPoct/wat | 3.344 | Crippen Calculated Property | |
| McVol | 172.730 | ml/mol | McGowan Calculated Property |
| Pc | 2729.71 | kPa | Joback Calculated Property |
| Inp | [1857.00; 1857.00] |
|
|
| Inp | 1857.00 | NIST | |
| Inp | 1857.00 | NIST | |
| Tboil | 594.69 | K | Relay (... Calculated Property |
| Tc | 850.03 | K | Relay (... Calculated Property |
| Tfus | 388.12 | K | Relay (... Calculated Property |
| Vc | 0.603 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [469.15; 556.88] | J/mol×K | [651.36; 882.32] |
|
| Cp,gas | 469.15 | J/mol×K | 651.36 | Joback Calculated Property |
| Cp,gas | 486.86 | J/mol×K | 689.85 | Joback Calculated Property |
| Cp,gas | 503.26 | J/mol×K | 728.35 | Joback Calculated Property |
| Cp,gas | 518.41 | J/mol×K | 766.84 | Joback Calculated Property |
| Cp,gas | 532.36 | J/mol×K | 805.33 | Joback Calculated Property |
| Cp,gas | 545.16 | J/mol×K | 843.82 | Joback Calculated Property |
| Cp,gas | 556.88 | J/mol×K | 882.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanecarboxamide, N-(4-fluorophenyl)-.
Sources
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