- InChI
- InChI=1S/C14H11F2NO2/c1-19-10-7-5-9(6-8-10)17-14(18)13-11(15)3-2-4-12(13)16/h2-8H,1H3,(H,17,18)
- InChI Key
- ZQICHOJJLGLUQJ-UHFFFAOYSA-N
- Formula
- C14H11F2NO2
- SMILES
- COc1ccc(NC(=O)c2c(F)cccc2F)cc1
- Molecular Weight1
- 263.24
- 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 | 0.6865 | Relay (1.0) Calculated Property | |
| ΔfG° | -271.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -475.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.226 | Crippen Calculated Property | |
| McVol | 181.560 | ml/mol | McGowan Calculated Property |
| Pc | 2561.10 | kPa | Joback Calculated Property |
| Inp | 2134.00 | NIST | |
| Tboil | 624.92 | K | Relay (1.0) Calculated Property |
| Tc | 906.19 | K | Relay (1.0) Calculated Property |
| Tfus | 417.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.654 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [478.91; 541.52] | J/mol×K | [713.02; 935.09] | 
|
| Cp,gas | 478.91 | J/mol×K | 713.02 | Joback Calculated Property |
| Cp,gas | 491.65 | J/mol×K | 750.03 | Joback Calculated Property |
| Cp,gas | 503.43 | J/mol×K | 787.04 | Joback Calculated Property |
| Cp,gas | 514.28 | J/mol×K | 824.05 | Joback Calculated Property |
| Cp,gas | 524.23 | J/mol×K | 861.06 | Joback Calculated Property |
| Cp,gas | 533.30 | J/mol×K | 898.08 | Joback Calculated Property |
| Cp,gas | 541.52 | J/mol×K | 935.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-(4-methoxyphenyl)-2,6-difluoro-.
Sources
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