- InChI
- InChI=1S/C14H10BrF2NO/c1-8-2-7-11(16)12(13(8)17)14(19)18-10-5-3-9(15)4-6-10/h2-7H,1H3,(H,18,19)
- InChI Key
- PDDRMXCGVINYRF-UHFFFAOYSA-N
- Formula
- C14H10BrF2NO
- SMILES
-
Cc1ccc(F)c(C(=O)Nc2ccc(Br)cc2)
c1F - Molecular Weight1
- 326.14
- 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 | 0.6638 | Relay (1.0) Calculated Property | |
| ΔfG° | -161.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -331.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.288 | Crippen Calculated Property | |
| McVol | 193.190 | ml/mol | McGowan Calculated Property |
| Pc | 2755.56 | kPa | Joback Calculated Property |
| Inp | 2419.00 | NIST | |
| Tboil | 634.08 | K | Relay (1.0) Calculated Property |
| Tc | 933.11 | K | Relay (1.0) Calculated Property |
| Tfus | 434.98 | K | Relay (1.0) Calculated Property |
| Vc | 0.677 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [485.74; 541.05] | J/mol×K | [761.74; 997.40] | 
|
| Cp,gas | 485.74 | J/mol×K | 761.74 | Joback Calculated Property |
| Cp,gas | 497.06 | J/mol×K | 801.02 | Joback Calculated Property |
| Cp,gas | 507.47 | J/mol×K | 840.29 | Joback Calculated Property |
| Cp,gas | 517.02 | J/mol×K | 879.57 | Joback Calculated Property |
| Cp,gas | 525.76 | J/mol×K | 918.85 | Joback Calculated Property |
| Cp,gas | 533.75 | J/mol×K | 958.13 | Joback Calculated Property |
| Cp,gas | 541.05 | J/mol×K | 997.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Difluoro-3-methylbenzamide, N-(4-bromophenyl)-.
Sources
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