![1-[(3-Trifluoromethyl)phenyl]propanol-1](/cid/85-987-3/1-3-Trifluoromethyl-phenyl-propanol-1.png "1-[(3-Trifluoromethyl)phenyl]propanol-1")
- InChI
- InChI=1S/C10H11F3O/c1-2-9(14)7-4-3-5-8(6-7)10(11,12)13/h3-6,9,14H,2H2,1H3
- InChI Key
- SZSJCUKIEPGUMF-UHFFFAOYSA-N
- Formula
- C10H11F3O
- SMILES
- CCC(O)c1cccc(C(F)(F)F)c1
- Molecular Weight1
- 204.19
- CAS
- 618-97-3
- 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).
- 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 | 0.5913 | Relay (... Calculated Property | |
| ΔfG° | -584.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -843.97 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 17.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.70 | kJ/mol | Relay (... Calculated Property |
| IE | 9.31 | eV | Relay (... Calculated Property |
| log10WS | -1.70 | Relay (... Calculated Property | |
| logPoct/wat | 3.149 | Crippen Calculated Property | |
| McVol | 139.180 | ml/mol | McGowan Calculated Property |
| Pc | 2835.36 | kPa | Joback Calculated Property |
| Tboil | 468.06 | K | Relay (... Calculated Property |
| Tc | 683.43 | K | Relay (... Calculated Property |
| Tfus | 323.26 | K | Relay (... Calculated Property |
| Vc | 0.510 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [339.99; 399.57] | J/mol×K | [546.18; 727.80] | 
|
| Cp,gas | 339.99 | J/mol×K | 546.18 | Joback Calculated Property |
| Cp,gas | 351.56 | J/mol×K | 576.45 | Joback Calculated Property |
| Cp,gas | 362.42 | J/mol×K | 606.72 | Joback Calculated Property |
| Cp,gas | 372.62 | J/mol×K | 636.99 | Joback Calculated Property |
| Cp,gas | 382.19 | J/mol×K | 667.26 | Joback Calculated Property |
| Cp,gas | 391.16 | J/mol×K | 697.53 | Joback Calculated Property |
| Cp,gas | 399.57 | J/mol×K | 727.80 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 362.50 ± 1.50 | K | 0.70 | NIST |
Similar Compounds
Find more compounds similar to 1-[(3-Trifluoromethyl)phenyl]propanol-1.
Sources
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