- InChI
- InChI=1S/C12H15F3O/c1-3-8(2)6-16-7-9-4-11(14)12(15)5-10(9)13/h4-5,8H,3,6-7H2,1-2H3
- InChI Key
- OMDIDGUWYCOSJJ-UHFFFAOYSA-N
- Formula
- C12H15F3O
- SMILES
- CCC(C)COCc1cc(F)c(F)cc1F
- Molecular Weight1
- 232.24
- 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° | -558.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -814.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.14 | kJ/mol | Joback Calculated Property |
| log10WS | -4.28 | Crippen Calculated Property | |
| logPoct/wat | 3.667 | Crippen Calculated Property | |
| McVol | 167.360 | ml/mol | McGowan Calculated Property |
| Pc | 2014.51 | kPa | Joback Calculated Property |
| Inp | 1285.00 | NIST | |
| Tboil | 535.37 | K | Joback Calculated Property |
| Tc | 713.35 | K | Joback Calculated Property |
| Tfus | 297.98 | K | Joback Calculated Property |
| Vc | 0.665 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [397.86; 471.93] | J/mol×K | [535.37; 713.35] | 
|
| Cp,gas | 397.86 | J/mol×K | 535.37 | Joback Calculated Property |
| Cp,gas | 411.62 | J/mol×K | 565.03 | Joback Calculated Property |
| Cp,gas | 424.80 | J/mol×K | 594.70 | Joback Calculated Property |
| Cp,gas | 437.42 | J/mol×K | 624.36 | Joback Calculated Property |
| Cp,gas | 449.47 | J/mol×K | 654.02 | Joback Calculated Property |
| Cp,gas | 460.97 | J/mol×K | 683.69 | Joback Calculated Property |
| Cp,gas | 471.93 | J/mol×K | 713.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,5-Trifluorobenzyl alcohol, 2-methylbutyl ether.
Sources
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