- InChI
- InChI=1S/C12H15F2NO/c1-8(2)5-6-15-12(16)9-3-4-10(13)11(14)7-9/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)
- InChI Key
- NPUJTGNHAWSHHG-UHFFFAOYSA-N
- Formula
- C12H15F2NO
- SMILES
- CC(C)CCNC(=O)c1ccc(F)c(F)c1
- 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 | 0.6183 | Relay (1.0) Calculated Property | |
| ΔfG° | -288.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -570.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.93 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.741 | Crippen Calculated Property | |
| McVol | 171.270 | ml/mol | McGowan Calculated Property |
| Pc | 2322.54 | kPa | Joback Calculated Property |
| Inp | [1693.00; 1693.00] |
|
|
| Inp | 1693.00 | NIST | |
| Inp | 1693.00 | NIST | |
| Tboil | 546.89 | K | Relay (1.0) Calculated Property |
| Tc | 758.08 | K | Relay (1.0) Calculated Property |
| Tfus | 310.12 | K | Relay (1.0) Calculated Property |
| Vc | 0.615 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [435.76; 507.10] | J/mol×K | [612.74; 808.57] |
|
| Cp,gas | 435.76 | J/mol×K | 612.74 | Joback Calculated Property |
| Cp,gas | 449.48 | J/mol×K | 645.38 | Joback Calculated Property |
| Cp,gas | 462.45 | J/mol×K | 678.02 | Joback Calculated Property |
| Cp,gas | 474.66 | J/mol×K | 710.66 | Joback Calculated Property |
| Cp,gas | 486.16 | J/mol×K | 743.29 | Joback Calculated Property |
| Cp,gas | 496.97 | J/mol×K | 775.93 | Joback Calculated Property |
| Cp,gas | 507.10 | J/mol×K | 808.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3,4-difluoro-N-(3-methylbutyl)-.
Sources
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