- InChI
- InChI=1S/C10H9F3O2/c1-2-15-9(14)7-5-3-4-6-8(7)10(11,12)13/h3-6H,2H2,1H3
- InChI Key
- BQLMZZVRHPZRBQ-UHFFFAOYSA-N
- Formula
- C10H9F3O2
- SMILES
- CCOC(=O)c1ccccc1C(F)(F)F
- Molecular Weight1
- 218.17
- CAS
- 577-62-8
- 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 | 0.5090 | Relay (1.0) Calculated Property | |
| ΔfG° | -679.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -959.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.882 | Crippen Calculated Property | |
| McVol | 140.750 | ml/mol | McGowan Calculated Property |
| Pc | 2679.08 | kPa | Joback Calculated Property |
| Tboil | 484.43 | K | Relay (1.0) Calculated Property |
| Tc | 672.35 | K | Relay (1.0) Calculated Property |
| Tfus | 243.46 | K | Relay (1.0) Calculated Property |
| Vc | 0.519 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [328.54; 391.31] | J/mol×K | [530.73; 726.25] | 
|
| Cp,gas | 328.54 | J/mol×K | 530.73 | Joback Calculated Property |
| Cp,gas | 340.77 | J/mol×K | 563.32 | Joback Calculated Property |
| Cp,gas | 352.26 | J/mol×K | 595.90 | Joback Calculated Property |
| Cp,gas | 363.03 | J/mol×K | 628.49 | Joback Calculated Property |
| Cp,gas | 373.10 | J/mol×K | 661.08 | Joback Calculated Property |
| Cp,gas | 382.52 | J/mol×K | 693.66 | Joback Calculated Property |
| Cp,gas | 391.31 | J/mol×K | 726.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Trifluoromethylbenzoic acid, ethyl ester.
Sources
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