- InChI
- InChI=1S/C9H5F5N2O3/c10-8(11,9(12,13)14)7(17)15-5-2-1-3-6(4-5)16(18)19/h1-4H,(H,15,17)
- InChI Key
- TUGCGBHNKPWBKD-UHFFFAOYSA-N
- Formula
- C9H5F5N2O3
- SMILES
-
O=C(Nc1cccc([N+](=O)[O-])c1)C(
F)(F)C(F)(F)F - Molecular Weight1
- 284.14
- 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° | -844.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1071.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.66 | kJ/mol | Joback Calculated Property |
| log10WS | -3.72 | Crippen Calculated Property | |
| logPoct/wat | 2.731 | Crippen Calculated Property | |
| McVol | 151.730 | ml/mol | McGowan Calculated Property |
| Pc | 2875.03 | kPa | Joback Calculated Property |
| Inp | 1504.00 | NIST | |
| Tboil | 682.75 | K | Joback Calculated Property |
| Tc | 899.86 | K | Joback Calculated Property |
| Tfus | 484.12 | K | Joback Calculated Property |
| Vc | 0.623 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [415.77; 459.30] | J/mol×K | [682.75; 899.86] | 
|
| Cp,gas | 415.77 | J/mol×K | 682.75 | Joback Calculated Property |
| Cp,gas | 424.97 | J/mol×K | 718.94 | Joback Calculated Property |
| Cp,gas | 433.28 | J/mol×K | 755.12 | Joback Calculated Property |
| Cp,gas | 440.79 | J/mol×K | 791.31 | Joback Calculated Property |
| Cp,gas | 447.57 | J/mol×K | 827.49 | Joback Calculated Property |
| Cp,gas | 453.71 | J/mol×K | 863.68 | Joback Calculated Property |
| Cp,gas | 459.30 | J/mol×K | 899.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N-(3-nitrophenyl)-2,2,3,3,3-pentafluoro-.
Sources
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