- InChI
- InChI=1S/C13H5F5N2O3/c14-8-7(9(15)11(17)12(18)10(8)16)13(21)19-5-2-1-3-6(4-5)20(22)23/h1-4H,(H,19,21)
- InChI Key
- AAYFOOIDAKNNRI-UHFFFAOYSA-N
- Formula
- C13H5F5N2O3
- SMILES
-
O=C(Nc1cccc([N+](=O)[O-])c1)c1
c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 332.18
- CAS
- 304444-14-2
- Other Names
-
- Benzamide, N-(3-nitrophenyl)-2,3,4,5,6-pentafluoro-
- 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° | -752.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -957.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.74 | kJ/mol | Joback Calculated Property |
| log10WS | -5.76 | Crippen Calculated Property | |
| logPoct/wat | 3.543 | Crippen Calculated Property | |
| McVol | 184.330 | ml/mol | McGowan Calculated Property |
| Pc | 2424.27 | kPa | Joback Calculated Property |
| Inp | 2169.00 | NIST | |
| Tboil | 832.31 | K | Joback Calculated Property |
| Tc | 1055.72 | K | Joback Calculated Property |
| Tfus | 613.38 | K | Joback Calculated Property |
| Vc | 0.760 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [510.24; 549.58] | J/mol×K | [832.31; 1055.72] | 
|
| Cp,gas | 510.24 | J/mol×K | 832.31 | Joback Calculated Property |
| Cp,gas | 518.70 | J/mol×K | 869.55 | Joback Calculated Property |
| Cp,gas | 526.35 | J/mol×K | 906.78 | Joback Calculated Property |
| Cp,gas | 533.24 | J/mol×K | 944.02 | Joback Calculated Property |
| Cp,gas | 539.39 | J/mol×K | 981.25 | Joback Calculated Property |
| Cp,gas | 544.82 | J/mol×K | 1018.49 | Joback Calculated Property |
| Cp,gas | 549.58 | J/mol×K | 1055.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,4,5,6-Pentafluoro-N-(3-nitrophenyl)benzamide.
Sources
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