- InChI
- InChI=1S/C11H13F3O/c1-11(2,3)15-6-7-4-9(13)10(14)5-8(7)12/h4-5H,6H2,1-3H3
- InChI Key
- LHFMJBWBEOFNGJ-UHFFFAOYSA-N
- Formula
- C11H13F3O
- SMILES
- CC(C)(C)OCc1cc(F)c(F)cc1F
- Molecular Weight1
- 218.22
- 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 | 0.4664 | Relay (1.0) Calculated Property | |
| ΔfG° | -561.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -707.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.419 | Crippen Calculated Property | |
| McVol | 153.270 | ml/mol | McGowan Calculated Property |
| Pc | 2222.89 | kPa | Joback Calculated Property |
| Inp | 1154.00 | NIST | |
| Tboil | 461.50 | K | Relay (1.0) Calculated Property |
| Tc | 651.63 | K | Relay (1.0) Calculated Property |
| Tfus | 282.54 | K | Relay (1.0) Calculated Property |
| Vc | 0.583 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [354.65; 426.17] | J/mol×K | [509.70; 696.14] | 
|
| Cp,gas | 354.65 | J/mol×K | 509.70 | Joback Calculated Property |
| Cp,gas | 368.18 | J/mol×K | 540.77 | Joback Calculated Property |
| Cp,gas | 381.03 | J/mol×K | 571.85 | Joback Calculated Property |
| Cp,gas | 393.24 | J/mol×K | 602.92 | Joback Calculated Property |
| Cp,gas | 404.82 | J/mol×K | 633.99 | Joback Calculated Property |
| Cp,gas | 415.79 | J/mol×K | 665.06 | Joback Calculated Property |
| Cp,gas | 426.17 | J/mol×K | 696.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,5-Trifluorobenzyl alcohol, tert.-butyl ether.
Sources
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