- InChI
- InChI=1S/C13H7BrF3NO/c14-7-1-3-8(4-2-7)18-13(19)9-5-6-10(15)12(17)11(9)16/h1-6H,(H,18,19)
- InChI Key
- QVVOZMRHZFWWRH-UHFFFAOYSA-N
- Formula
- C13H7BrF3NO
- SMILES
-
O=C(Nc1ccc(Br)cc1)c1ccc(F)c(F)
c1F - Molecular Weight1
- 330.10
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -364.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -505.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.90 | kJ/mol | Joback Calculated Property |
| log10WS | -5.61 | Crippen Calculated Property | |
| logPoct/wat | 4.119 | Crippen Calculated Property | |
| McVol | 180.870 | ml/mol | McGowan Calculated Property |
| Pc | 2909.25 | kPa | Joback Calculated Property |
| Inp | 2087.00 | NIST | |
| Tboil | 738.13 | K | Joback Calculated Property |
| Tc | 968.25 | K | Joback Calculated Property |
| Tfus | 503.35 | K | Joback Calculated Property |
| Vc | 0.705 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [442.21; 492.03] | J/mol×K | [738.13; 968.25] | 
|
| Cp,gas | 442.21 | J/mol×K | 738.13 | Joback Calculated Property |
| Cp,gas | 452.44 | J/mol×K | 776.48 | Joback Calculated Property |
| Cp,gas | 461.84 | J/mol×K | 814.84 | Joback Calculated Property |
| Cp,gas | 470.44 | J/mol×K | 853.19 | Joback Calculated Property |
| Cp,gas | 478.31 | J/mol×K | 891.55 | Joback Calculated Property |
| Cp,gas | 485.49 | J/mol×K | 929.90 | Joback Calculated Property |
| Cp,gas | 492.03 | J/mol×K | 968.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-(4-bromophenyl)-2,3,4-trifluoro-.
Sources
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