- InChI
- InChI=1S/C12H15F2NO/c1-3-4-7-15-12(16)10-9(13)6-5-8(2)11(10)14/h5-6H,3-4,7H2,1-2H3,(H,15,16)
- InChI Key
- ZCCNMOWICAHCFV-UHFFFAOYSA-N
- Formula
- C12H15F2NO
- SMILES
- CCCCNC(=O)c1c(F)ccc(C)c1F
- Molecular Weight1
- 227.25
- 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 | 0.6431 | Relay (1.0) Calculated Property | |
| ΔfG° | -295.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -558.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.803 | Crippen Calculated Property | |
| McVol | 171.270 | ml/mol | McGowan Calculated Property |
| Pc | 2271.90 | kPa | Joback Calculated Property |
| Inp | [1740.00; 1740.00] |
|
|
| Inp | 1740.00 | NIST | |
| Inp | 1740.00 | NIST | |
| Tboil | 555.11 | K | Relay (1.0) Calculated Property |
| Tc | 776.26 | K | Relay (1.0) Calculated Property |
| Tfus | 328.77 | K | Relay (1.0) Calculated Property |
| Vc | 0.625 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [434.72; 504.05] | J/mol×K | [618.16; 811.33] |
|
| Cp,gas | 434.72 | J/mol×K | 618.16 | Joback Calculated Property |
| Cp,gas | 447.95 | J/mol×K | 650.35 | Joback Calculated Property |
| Cp,gas | 460.49 | J/mol×K | 682.55 | Joback Calculated Property |
| Cp,gas | 472.35 | J/mol×K | 714.74 | Joback Calculated Property |
| Cp,gas | 483.55 | J/mol×K | 746.94 | Joback Calculated Property |
| Cp,gas | 494.11 | J/mol×K | 779.13 | Joback Calculated Property |
| Cp,gas | 504.05 | J/mol×K | 811.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 2,6-difluoro-3-methyl-N-butyl-.
Sources
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