- InChI
- InChI=1S/C9H9F3O/c1-13-8-4-2-7(3-5-8)6-9(10,11)12/h2-5H,6H2,1H3
- InChI Key
- RCMJDIMTNJVPAN-UHFFFAOYSA-N
- Formula
- C9H9F3O
- SMILES
- COc1ccc(CC(F)(F)F)cc1
- Molecular Weight1
- 190.16
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -558.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -733.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.23 | kJ/mol | Joback Calculated Property |
| log10WS | -3.06 | Crippen Calculated Property | |
| logPoct/wat | 2.800 | Crippen Calculated Property | |
| McVol | 125.090 | ml/mol | McGowan Calculated Property |
| Pc | 2773.00 | kPa | Joback Calculated Property |
| Inp | [1052.00; 1052.00] |
|
|
| Inp | 1052.00 | NIST | |
| Inp | 1052.00 | NIST | |
| Tboil | 453.98 | K | Joback Calculated Property |
| Tc | 642.08 | K | Joback Calculated Property |
| Tfus | 256.55 | K | Joback Calculated Property |
| Vc | 0.492 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [266.86; 331.80] | J/mol×K | [453.98; 642.08] |
|
| Cp,gas | 266.86 | J/mol×K | 453.98 | Joback Calculated Property |
| Cp,gas | 279.33 | J/mol×K | 485.33 | Joback Calculated Property |
| Cp,gas | 291.10 | J/mol×K | 516.68 | Joback Calculated Property |
| Cp,gas | 302.21 | J/mol×K | 548.03 | Joback Calculated Property |
| Cp,gas | 312.68 | J/mol×K | 579.38 | Joback Calculated Property |
| Cp,gas | 322.54 | J/mol×K | 610.73 | Joback Calculated Property |
| Cp,gas | 331.80 | J/mol×K | 642.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-(2,2,2-trifluoroethyl)-4-methoxy.
Sources
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