- InChI
- InChI=1S/C12H16FNO/c1-3-4-8-14(2)12(15)10-6-5-7-11(13)9-10/h5-7,9H,3-4,8H2,1-2H3
- InChI Key
- GCAYUQJQLZZJEF-UHFFFAOYSA-N
- Formula
- C12H16FNO
- SMILES
- CCCCN(C)C(=O)c1cccc(F)c1
- Molecular Weight1
- 209.26
- 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° | -60.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -307.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.22 | kJ/mol | Joback Calculated Property |
| log10WS | -3.20 | Crippen Calculated Property | |
| logPoct/wat | 2.698 | Crippen Calculated Property | |
| McVol | 169.500 | ml/mol | McGowan Calculated Property |
| Pc | 2407.64 | kPa | Joback Calculated Property |
| Inp | [1783.00; 1783.00] |
|
|
| Inp | 1783.00 | NIST | |
| Inp | 1783.00 | NIST | |
| Tboil | 571.20 | K | Joback Calculated Property |
| Tc | 767.95 | K | Joback Calculated Property |
| Tfus | 346.93 | K | Joback Calculated Property |
| Vc | 0.641 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [412.41; 490.36] | J/mol×K | [571.20; 767.95] |
|
| Cp,gas | 412.41 | J/mol×K | 571.20 | Joback Calculated Property |
| Cp,gas | 427.45 | J/mol×K | 603.99 | Joback Calculated Property |
| Cp,gas | 441.62 | J/mol×K | 636.78 | Joback Calculated Property |
| Cp,gas | 454.96 | J/mol×K | 669.58 | Joback Calculated Property |
| Cp,gas | 467.51 | J/mol×K | 702.37 | Joback Calculated Property |
| Cp,gas | 479.30 | J/mol×K | 735.16 | Joback Calculated Property |
| Cp,gas | 490.36 | J/mol×K | 767.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-fluoro-N-butyl-N-methyl-.
Sources
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