- InChI
- InChI=1S/C12H13F3O2/c1-9(17-11(16)12(13,14)15)7-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
- InChI Key
- RCNPYDZVSNUILB-UHFFFAOYSA-N
- Formula
- C12H13F3O2
- SMILES
- CC(CCc1ccccc1)OC(=O)C(F)(F)F
- Molecular Weight1
- 246.23
- Other Names
-
- 2-Butanol, 4-phenyl-O-trifluoroacetyl-
- 2-trifluoroacetyloxy-4-phenylbutane
- 4-Phenyl-2-butanol trifluoroacetate
- 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° | -655.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -901.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.60 | kJ/mol | Joback Calculated Property |
| log10WS | -3.59 | Crippen Calculated Property | |
| logPoct/wat | 3.113 | Crippen Calculated Property | |
| McVol | 168.930 | ml/mol | McGowan Calculated Property |
| Pc | 2265.42 | kPa | Joback Calculated Property |
| Inp | 1229.00 | NIST | |
| Tboil | 571.07 | K | Joback Calculated Property |
| Tc | 764.43 | K | Joback Calculated Property |
| Tfus | 312.77 | K | Joback Calculated Property |
| Vc | 0.660 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [422.21; 495.17] | J/mol×K | [571.07; 764.43] | 
|
| Cp,gas | 422.21 | J/mol×K | 571.07 | Joback Calculated Property |
| Cp,gas | 436.46 | J/mol×K | 603.30 | Joback Calculated Property |
| Cp,gas | 449.83 | J/mol×K | 635.52 | Joback Calculated Property |
| Cp,gas | 462.35 | J/mol×K | 667.75 | Joback Calculated Property |
| Cp,gas | 474.05 | J/mol×K | 699.97 | Joback Calculated Property |
| Cp,gas | 484.98 | J/mol×K | 732.20 | Joback Calculated Property |
| Cp,gas | 495.17 | J/mol×K | 764.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Phenylbutan-2-ol trifluoroacetate.
Sources
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