- InChI
- InChI=1S/C7H4F3NO3/c8-7(9,10)14-6-3-1-5(2-4-6)11(12)13/h1-4H
- InChI Key
- UBEIKVUMDBCCRW-UHFFFAOYSA-N
- Formula
- C7H4F3NO3
- SMILES
-
O=[N+]([O-])c1ccc(OC(F)(F)F)cc
1 - Molecular Weight1
- 207.11
- CAS
- 713-65-5
- Other Names
-
- 1-Nitro-4-(trifluoromethoxy)benzene
- 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).
- 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 | 0.5486 | Relay (... Calculated Property | |
| ΔfG° | -540.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -738.98 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 21.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.44 | kJ/mol | Relay (... Calculated Property |
| IE | 10.11 | eV | Relay (... Calculated Property |
| log10WS | -3.49 | Relay (... Calculated Property | |
| logPoct/wat | 2.493 | Crippen Calculated Property | |
| McVol | 114.330 | ml/mol | McGowan Calculated Property |
| Pc | 3480.65 | kPa | Joback Calculated Property |
| Tboil | 475.22 | K | Relay (... Calculated Property |
| Tc | 676.13 | K | Relay (... Calculated Property |
| Tfus | 283.40 | K | Relay (... Calculated Property |
| Vc | 0.406 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [271.67; 320.04] | J/mol×K | [560.06; 784.37] | 
|
| Cp,gas | 271.67 | J/mol×K | 560.06 | Joback Calculated Property |
| Cp,gas | 281.58 | J/mol×K | 597.45 | Joback Calculated Property |
| Cp,gas | 290.70 | J/mol×K | 634.83 | Joback Calculated Property |
| Cp,gas | 299.06 | J/mol×K | 672.22 | Joback Calculated Property |
| Cp,gas | 306.71 | J/mol×K | 709.60 | Joback Calculated Property |
| Cp,gas | 313.69 | J/mol×K | 746.99 | Joback Calculated Property |
| Cp,gas | 320.04 | J/mol×K | 784.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Alpha,alpha,alpha-trifluoro-4'-nitroanisole.
Sources
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