- InChI
- InChI=1S/C10H9F3O4/c1-15-6-4-3-5-7(16-2)8(6)17-9(14)10(11,12)13/h3-5H,1-2H3
- InChI Key
- LPPURHYBXVOBFD-UHFFFAOYSA-N
- Formula
- C10H9F3O4
- SMILES
- COc1cccc(OC)c1OC(=O)C(F)(F)F
- Molecular Weight1
- 250.17
- 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 | 0.5944 | Relay (1.0) Calculated Property | |
| ΔfG° | -899.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1145.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.171 | Crippen Calculated Property | |
| McVol | 152.490 | ml/mol | McGowan Calculated Property |
| Pc | 2548.19 | kPa | Joback Calculated Property |
| Inp | 1287.00 | NIST | |
| Tboil | 491.46 | K | Relay (1.0) Calculated Property |
| Tc | 668.19 | K | Relay (1.0) Calculated Property |
| Tfus | 321.96 | K | Relay (1.0) Calculated Property |
| Vc | 0.555 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [375.42; 435.32] | J/mol×K | [580.55; 774.03] | 
|
| Cp,gas | 375.42 | J/mol×K | 580.55 | Joback Calculated Property |
| Cp,gas | 386.91 | J/mol×K | 612.80 | Joback Calculated Property |
| Cp,gas | 397.79 | J/mol×K | 645.04 | Joback Calculated Property |
| Cp,gas | 408.08 | J/mol×K | 677.29 | Joback Calculated Property |
| Cp,gas | 417.76 | J/mol×K | 709.54 | Joback Calculated Property |
| Cp,gas | 426.84 | J/mol×K | 741.78 | Joback Calculated Property |
| Cp,gas | 435.32 | J/mol×K | 774.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Dimethoxyphenol, trifluoroacetate.
Sources
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