- InChI
- InChI=1S/C12H7F3O2/c13-12(14,15)11(16)17-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
- InChI Key
- FBGJNOFLJYQIDX-UHFFFAOYSA-N
- Formula
- C12H7F3O2
- SMILES
- O=C(Oc1ccc2ccccc2c1)C(F)(F)F
- Molecular Weight1
- 240.18
- Other Names
-
- 2-Naphthol, TFA
- 2-Naphthol, trifluoroacetate
- 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 | 0.4971 | Relay (1.0) Calculated Property | |
| ΔfG° | -555.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -806.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.308 | Crippen Calculated Property | |
| McVol | 149.470 | ml/mol | McGowan Calculated Property |
| Pc | 2832.35 | kPa | Joback Calculated Property |
| Inp | [1341.00; 1346.00] |
|
|
| Inp | 1341.00 | NIST | |
| Inp | 1346.00 | NIST | |
| Inp | 1346.00 | NIST | |
| Tboil | 536.93 | K | Relay (1.0) Calculated Property |
| Tc | 748.90 | K | Relay (1.0) Calculated Property |
| Tfus | 328.40 | K | Relay (1.0) Calculated Property |
| Vc | 0.538 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [364.86; 423.68] | J/mol×K | [595.47; 811.04] |
|
| Cp,gas | 364.86 | J/mol×K | 595.47 | Joback Calculated Property |
| Cp,gas | 376.83 | J/mol×K | 631.40 | Joback Calculated Property |
| Cp,gas | 387.85 | J/mol×K | 667.33 | Joback Calculated Property |
| Cp,gas | 397.97 | J/mol×K | 703.25 | Joback Calculated Property |
| Cp,gas | 407.28 | J/mol×K | 739.18 | Joback Calculated Property |
| Cp,gas | 415.82 | J/mol×K | 775.11 | Joback Calculated Property |
| Cp,gas | 423.68 | J/mol×K | 811.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Trifluoroacetic acid, 2-naphthyl ester.
Sources
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