- InChI
- InChI=1S/C14H9F3N2O3/c15-14(16,17)10-4-1-3-9(7-10)13(20)18-11-5-2-6-12(8-11)19(21)22/h1-8H,(H,18,20)
- InChI Key
- MEYXYYXOUMOXSA-UHFFFAOYSA-N
- Formula
- C14H9F3N2O3
- SMILES
-
O=C(Nc1cccc([N+](=O)[O-])c1)c1
cccc(C(F)(F)F)c1 - Molecular Weight1
- 310.23
- 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 | 0.7445 | Relay (1.0) Calculated Property | |
| ΔfG° | -313.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -648.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.866 | Crippen Calculated Property | |
| McVol | 194.880 | ml/mol | McGowan Calculated Property |
| Pc | 2608.40 | kPa | Joback Calculated Property |
| Inp | 2372.00 | NIST | |
| Tboil | 627.48 | K | Relay (1.0) Calculated Property |
| Tc | 948.05 | K | Relay (1.0) Calculated Property |
| Tfus | 410.77 | K | Relay (1.0) Calculated Property |
| Vc | 0.679 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [557.56; 605.81] | J/mol×K | [833.50; 1077.80] | 
|
| Cp,gas | 557.56 | J/mol×K | 833.50 | Joback Calculated Property |
| Cp,gas | 567.70 | J/mol×K | 874.22 | Joback Calculated Property |
| Cp,gas | 576.86 | J/mol×K | 914.93 | Joback Calculated Property |
| Cp,gas | 585.14 | J/mol×K | 955.65 | Joback Calculated Property |
| Cp,gas | 592.65 | J/mol×K | 996.37 | Joback Calculated Property |
| Cp,gas | 599.51 | J/mol×K | 1037.08 | Joback Calculated Property |
| Cp,gas | 605.81 | J/mol×K | 1077.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-(3-nitrophenyl)-3-trifluoromethyl-.
Sources
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