- InChI
- InChI=1S/C9H6F3NO5/c1-17-6-3-2-5(13(15)16)4-7(6)18-8(14)9(10,11)12/h2-4H,1H3
- InChI Key
- QVXOPRLVAGXWQE-UHFFFAOYSA-N
- Formula
- C9H6F3NO5
- SMILES
-
COc1ccc([N+](=O)[O-])cc1OC(=O)
C(F)(F)F - Molecular Weight1
- 265.14
- 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 | 0.6592 | Relay (1.0) Calculated Property | |
| ΔfG° | -766.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -991.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.071 | Crippen Calculated Property | |
| McVol | 149.950 | ml/mol | McGowan Calculated Property |
| Pc | 2902.98 | kPa | Joback Calculated Property |
| Inp | [1482.00; 1482.00] |
|
|
| Inp | 1482.00 | NIST | |
| Inp | 1482.00 | NIST | |
| Tboil | 528.74 | K | Relay (1.0) Calculated Property |
| Tc | 741.38 | K | Relay (1.0) Calculated Property |
| Tfus | 350.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.532 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [395.00; 442.00] | J/mol×K | [687.09; 908.26] |
|
| Cp,gas | 395.00 | J/mol×K | 687.09 | Joback Calculated Property |
| Cp,gas | 404.73 | J/mol×K | 723.95 | Joback Calculated Property |
| Cp,gas | 413.67 | J/mol×K | 760.81 | Joback Calculated Property |
| Cp,gas | 421.85 | J/mol×K | 797.68 | Joback Calculated Property |
| Cp,gas | 429.29 | J/mol×K | 834.54 | Joback Calculated Property |
| Cp,gas | 436.00 | J/mol×K | 871.40 | Joback Calculated Property |
| Cp,gas | 442.00 | J/mol×K | 908.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methoxy-5-nitrophenol, trifluoroacetate.
Sources
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