- InChI
- InChI=1S/C8H6F3NO3/c1-15-7-3-5(8(9,10)11)2-6(4-7)12(13)14/h2-4H,1H3
- InChI Key
- NCPVPJVRLLHBEL-UHFFFAOYSA-N
- Formula
- C8H6F3NO3
- SMILES
-
COc1cc([N+](=O)[O-])cc(C(F)(F)
F)c1 - Molecular Weight1
- 221.13
- CAS
- 328-79-0
- 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).
- 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° | -541.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -734.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.26 | kJ/mol | Joback Calculated Property |
| log10WS | -3.35 | Crippen Calculated Property | |
| logPoct/wat | 2.622 | Crippen Calculated Property | |
| McVol | 128.420 | ml/mol | McGowan Calculated Property |
| Pc | 3065.95 | kPa | Joback Calculated Property |
| Tboil | 587.92 | K | Joback Calculated Property |
| Tc | 809.18 | K | Joback Calculated Property |
| Tfus | 401.41 | K | Joback Calculated Property |
| Vc | 0.518 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [315.13; 367.44] | J/mol×K | [587.92; 809.18] | 
|
| Cp,gas | 315.13 | J/mol×K | 587.92 | Joback Calculated Property |
| Cp,gas | 325.67 | J/mol×K | 624.80 | Joback Calculated Property |
| Cp,gas | 335.44 | J/mol×K | 661.67 | Joback Calculated Property |
| Cp,gas | 344.46 | J/mol×K | 698.55 | Joback Calculated Property |
| Cp,gas | 352.78 | J/mol×K | 735.42 | Joback Calculated Property |
| Cp,gas | 360.43 | J/mol×K | 772.30 | Joback Calculated Property |
| Cp,gas | 367.44 | J/mol×K | 809.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methoxy-5-nitrobenzotrifluoride.
Sources
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