- InChI
- InChI=1S/C11H13F2NO/c1-7(2)6-14-11(15)8-3-4-9(12)10(13)5-8/h3-5,7H,6H2,1-2H3,(H,14,15)
- InChI Key
- OGPZEGWBIMALDE-UHFFFAOYSA-N
- Formula
- C11H13F2NO
- SMILES
- CC(C)CNC(=O)c1ccc(F)c(F)c1
- Molecular Weight1
- 213.22
- 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 | 0.5830 | Relay (1.0) Calculated Property | |
| ΔfG° | -296.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -555.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.66 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.351 | Crippen Calculated Property | |
| McVol | 157.180 | ml/mol | McGowan Calculated Property |
| Pc | 2553.34 | kPa | Joback Calculated Property |
| Inp | 1572.00 | NIST | |
| Tboil | 528.43 | K | Relay (1.0) Calculated Property |
| Tc | 736.75 | K | Relay (1.0) Calculated Property |
| Tfus | 318.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.569 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [387.02; 454.88] | J/mol×K | [589.86; 788.30] | 
|
| Cp,gas | 387.02 | J/mol×K | 589.86 | Joback Calculated Property |
| Cp,gas | 400.09 | J/mol×K | 622.93 | Joback Calculated Property |
| Cp,gas | 412.43 | J/mol×K | 656.01 | Joback Calculated Property |
| Cp,gas | 424.05 | J/mol×K | 689.08 | Joback Calculated Property |
| Cp,gas | 434.99 | J/mol×K | 722.15 | Joback Calculated Property |
| Cp,gas | 445.26 | J/mol×K | 755.23 | Joback Calculated Property |
| Cp,gas | 454.88 | J/mol×K | 788.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3,4-difluoro-N-isobutyl-.
Sources
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