- InChI
- InChI=1S/C7H3F4NO2/c8-6-2-1-4(12(13)14)3-5(6)7(9,10)11/h1-3H
- InChI Key
- DNTHMWUMRGOJRY-UHFFFAOYSA-N
- Formula
- C7H3F4NO2
- SMILES
-
O=[N+]([O-])c1ccc(F)c(C(F)(F)F
)c1 - Molecular Weight1
- 209.10
- CAS
- 400-74-8
- Other Names
-
- Benzene, 1-fluoro-4-nitro-2-(trifluoromethyl)-
- «alpha»,«alpha»,«alpha»-2-tetrafluorotoluene
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.5015 | Relay (... Calculated Property | |
| ΔfG° | -639.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -759.09 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 23.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.81 | kJ/mol | Relay (... Calculated Property |
| IE | 10.31 | eV | Relay (... Calculated Property |
| log10WS | -3.09 | Relay (... Calculated Property | |
| logPoct/wat | 2.753 | Crippen Calculated Property | |
| McVol | 110.230 | ml/mol | McGowan Calculated Property |
| Pc | 3310.55 | kPa | Joback Calculated Property |
| Tboil | 472.00 | K | Relay (... Calculated Property |
| Tc | 690.36 | K | Relay (... Calculated Property |
| Tfus | 302.48 | K | Relay (... Calculated Property |
| Vc | 0.391 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [257.77; 303.15] | J/mol×K | [541.89; 758.65] | 
|
| Cp,gas | 257.77 | J/mol×K | 541.89 | Joback Calculated Property |
| Cp,gas | 267.07 | J/mol×K | 578.02 | Joback Calculated Property |
| Cp,gas | 275.61 | J/mol×K | 614.14 | Joback Calculated Property |
| Cp,gas | 283.45 | J/mol×K | 650.27 | Joback Calculated Property |
| Cp,gas | 290.62 | J/mol×K | 686.40 | Joback Calculated Property |
| Cp,gas | 297.17 | J/mol×K | 722.53 | Joback Calculated Property |
| Cp,gas | 303.15 | J/mol×K | 758.65 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 377.50 ± 0.50 | K | 2.70 | NIST |
Similar Compounds
Find more compounds similar to 2-Fluoro-5-nitrobenzotrifluoride.
Sources
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