- InChI
- InChI=1S/C7H5F3O/c8-5-1-2-6(9)7(10)4(5)3-11/h1-2,11H,3H2
- InChI Key
- DWOWBLURUYIVOU-UHFFFAOYSA-N
- Formula
- C7H5F3O
- SMILES
- OCc1c(F)ccc(F)c1F
- Molecular Weight1
- 162.11
- CAS
- 114152-19-1
- 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).
- 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° | -629.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -726.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.67 | kJ/mol | Joback Calculated Property |
| log10WS | -2.61 | Crippen Calculated Property | |
| logPoct/wat | 1.596 | Crippen Calculated Property | |
| McVol | 96.910 | ml/mol | McGowan Calculated Property |
| Pc | 3686.49 | kPa | Joback Calculated Property |
| Tboil | 491.17 | K | Joback Calculated Property |
| Tc | 666.50 | K | Joback Calculated Property |
| Tfus | 295.22 | K | Joback Calculated Property |
| Vc | 0.393 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [206.76; 245.72] | J/mol×K | [491.17; 666.50] | 
|
| Cp,gas | 206.76 | J/mol×K | 491.17 | Joback Calculated Property |
| Cp,gas | 214.04 | J/mol×K | 520.39 | Joback Calculated Property |
| Cp,gas | 221.00 | J/mol×K | 549.61 | Joback Calculated Property |
| Cp,gas | 227.63 | J/mol×K | 578.83 | Joback Calculated Property |
| Cp,gas | 233.96 | J/mol×K | 608.05 | Joback Calculated Property |
| Cp,gas | 239.99 | J/mol×K | 637.28 | Joback Calculated Property |
| Cp,gas | 245.72 | J/mol×K | 666.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,6-Trifluorobenzyl alcohol.
Sources
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