- InChI
- InChI=1S/C9H6F6O/c10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15/h1-3,16H,4H2
- InChI Key
- BJTWPJOGDWRYDD-UHFFFAOYSA-N
- Formula
- C9H6F6O
- SMILES
- OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
- Molecular Weight1
- 244.13
- CAS
- 32707-89-4
- Other Names
-
- 3,5-di(Trifluoromethyl)benzyl alcohol
- Benzenemethanol, 3,5-bis(trifluoromethyl)-
- 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° | -1181.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1361.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.41 | kJ/mol | Joback Calculated Property |
| log10WS | -3.82 | Crippen Calculated Property | |
| logPoct/wat | 3.217 | Crippen Calculated Property | |
| McVol | 130.400 | ml/mol | McGowan Calculated Property |
| Pc | 2709.85 | kPa | Joback Calculated Property |
| Tboil | 523.30 | K | Joback Calculated Property |
| Tc | 690.15 | K | Joback Calculated Property |
| Tfus | 311.85 | K | Joback Calculated Property |
| Vc | 0.536 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [322.98; 371.59] | J/mol×K | [523.30; 690.15] | 
|
| Cp,gas | 322.98 | J/mol×K | 523.30 | Joback Calculated Property |
| Cp,gas | 332.55 | J/mol×K | 551.11 | Joback Calculated Property |
| Cp,gas | 341.48 | J/mol×K | 578.92 | Joback Calculated Property |
| Cp,gas | 349.82 | J/mol×K | 606.72 | Joback Calculated Property |
| Cp,gas | 357.59 | J/mol×K | 634.53 | Joback Calculated Property |
| Cp,gas | 364.84 | J/mol×K | 662.34 | Joback Calculated Property |
| Cp,gas | 371.59 | J/mol×K | 690.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,5-Bis(trifluoromethyl)benzyl alcohol.
Sources
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