- InChI
- InChI=1S/C13H17F3O/c1-12(2,3)9-17-8-10-4-6-11(7-5-10)13(14,15)16/h4-7H,8-9H2,1-3H3
- InChI Key
- SNLUEHIBOUEBIE-UHFFFAOYSA-N
- Formula
- C13H17F3O
- SMILES
- CC(C)(C)COCc1ccc(C(F)(F)F)cc1
- Molecular Weight1
- 246.27
- 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 | 0.5264 | Relay (1.0) Calculated Property | |
| ΔfG° | -522.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -881.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.93 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.268 | Crippen Calculated Property | |
| McVol | 181.450 | ml/mol | McGowan Calculated Property |
| Pc | 1950.95 | kPa | Joback Calculated Property |
| Inp | 1254.00 | NIST | |
| Tboil | 490.10 | K | Relay (1.0) Calculated Property |
| Tc | 686.48 | K | Relay (1.0) Calculated Property |
| Tfus | 334.99 | K | Relay (1.0) Calculated Property |
| Vc | 0.670 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [450.96; 536.06] | J/mol×K | [542.27; 733.00] | 
|
| Cp,gas | 450.96 | J/mol×K | 542.27 | Joback Calculated Property |
| Cp,gas | 467.51 | J/mol×K | 574.06 | Joback Calculated Property |
| Cp,gas | 483.04 | J/mol×K | 605.85 | Joback Calculated Property |
| Cp,gas | 497.61 | J/mol×K | 637.63 | Joback Calculated Property |
| Cp,gas | 511.28 | J/mol×K | 669.42 | Joback Calculated Property |
| Cp,gas | 524.07 | J/mol×K | 701.21 | Joback Calculated Property |
| Cp,gas | 536.06 | J/mol×K | 733.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(Trifluoromethyl)phenyl methanol, neopentyl ether.
Sources
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