- InChI
- InChI=1S/C7H6F2O/c8-6-1-5(4-10)2-7(9)3-6/h1-3,10H,4H2
- InChI Key
- LOGIHEKXJKHXEC-UHFFFAOYSA-N
- Formula
- C7H6F2O
- SMILES
- OCc1cc(F)cc(F)c1
- Molecular Weight1
- 144.12
- CAS
- 79538-20-8
- 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).
- 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 | 0.5951 | Relay (1.0) Calculated Property | |
| ΔfG° | -425.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -494.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.457 | Crippen Calculated Property | |
| McVol | 95.140 | ml/mol | McGowan Calculated Property |
| Pc | 3970.51 | kPa | Joback Calculated Property |
| Tboil | 434.11 | K | Relay (1.0) Calculated Property |
| Tc | 684.51 | K | Relay (1.0) Calculated Property |
| Tfus | 283.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.353 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [198.74; 241.00] | J/mol×K | [486.92; 669.83] | 
|
| Cp,gas | 198.74 | J/mol×K | 486.92 | Joback Calculated Property |
| Cp,gas | 206.72 | J/mol×K | 517.41 | Joback Calculated Property |
| Cp,gas | 214.31 | J/mol×K | 547.89 | Joback Calculated Property |
| Cp,gas | 221.52 | J/mol×K | 578.38 | Joback Calculated Property |
| Cp,gas | 228.37 | J/mol×K | 608.86 | Joback Calculated Property |
| Cp,gas | 234.86 | J/mol×K | 639.35 | Joback Calculated Property |
| Cp,gas | 241.00 | J/mol×K | 669.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,5-Difluorobenzyl alcohol.
Sources
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