- InChI
- InChI=1S/C9H9F3O/c10-9(11,12)8-3-1-2-7(6-8)4-5-13/h1-3,6,13H,4-5H2
- InChI Key
- YDKIPCCKZKQMDT-UHFFFAOYSA-N
- Formula
- C9H9F3O
- SMILES
- OCCc1cccc(C(F)(F)F)c1
- Molecular Weight1
- 190.16
- CAS
- 455-01-6
- Other Names
-
- Phenethyl alcohol, m-(trifluoromethyl)-
- 3-(Trifluoromethyl)phenethyl alcohol
- 2-[m-(Trifluoromethyl)phenyl]ethanol
- 2-[3-(Trifluoromethyl)phenyl]ethanol
- m-(Trifluoromethyl)phenethyl alcohol
- 3-(trifluoromethyl)phenethylic alcohol
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.6360 | Relay (... Calculated Property | |
| ΔfG° | -590.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -792.03 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 18.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.84 | kJ/mol | Relay (... Calculated Property |
| IE | 9.51 | eV | Relay (... Calculated Property |
| log10WS | -1.52 | Relay (... Calculated Property | |
| logPoct/wat | 2.240 | Crippen Calculated Property | |
| McVol | 125.090 | ml/mol | McGowan Calculated Property |
| Pc | 3121.00 | kPa | Joback Calculated Property |
| Inp | [1151.00; 1151.00] |
|
|
| Inp | 1151.00 | NIST | |
| Inp | 1151.00 | NIST | |
| Tboil | 492.63 | K | Relay (... Calculated Property |
| Tc | 700.37 | K | Relay (... Calculated Property |
| Tfus | 279.46 | K | Relay (... Calculated Property |
| Vc | 0.448 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [294.84; 349.03] | J/mol×K | [523.74; 703.63] |
|
| Cp,gas | 294.84 | J/mol×K | 523.74 | Joback Calculated Property |
| Cp,gas | 305.38 | J/mol×K | 553.72 | Joback Calculated Property |
| Cp,gas | 315.27 | J/mol×K | 583.70 | Joback Calculated Property |
| Cp,gas | 324.54 | J/mol×K | 613.69 | Joback Calculated Property |
| Cp,gas | 333.24 | J/mol×K | 643.67 | Joback Calculated Property |
| Cp,gas | 341.39 | J/mol×K | 673.65 | Joback Calculated Property |
| Cp,gas | 349.03 | J/mol×K | 703.63 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 375.20 | K | 1.60 | NIST |
Similar Compounds
Find more compounds similar to Benzeneethanol, 3-(trifluoromethyl)-.
Sources
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