- InChI
- InChI=1S/C7H7FO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2
- InChI Key
- QDHRSLFSDGCJFX-UHFFFAOYSA-N
- Formula
- C7H7FO
- SMILES
- OCc1cccc(F)c1
- Molecular Weight1
- 126.13
- CAS
- 456-47-3
- Other Names
-
- Benzyl alcohol, m-fluoro-
- m-Fluorobenzyl alcohol
- 3-Fluorobenzyl alcohol
- 3-fluorobenzylic 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).
- 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 | 0.5615 | Relay (1.0) Calculated Property | |
| ΔfG° | -220.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -321.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.318 | Crippen Calculated Property | |
| McVol | 93.370 | ml/mol | McGowan Calculated Property |
| Pc | 4288.66 | kPa | Joback Calculated Property |
| Tboil | 377.50 ± 0.50 | K | NIST |
| Tc | 697.70 | K | Relay (1.0) Calculated Property |
| Tfus | 258.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.336 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [190.60; 236.44] | J/mol×K | [482.67; 673.82] | 
|
| Cp,gas | 190.60 | J/mol×K | 482.67 | Joback Calculated Property |
| Cp,gas | 199.36 | J/mol×K | 514.53 | Joback Calculated Property |
| Cp,gas | 207.65 | J/mol×K | 546.39 | Joback Calculated Property |
| Cp,gas | 215.49 | J/mol×K | 578.25 | Joback Calculated Property |
| Cp,gas | 222.89 | J/mol×K | 610.10 | Joback Calculated Property |
| Cp,gas | 229.87 | J/mol×K | 641.96 | Joback Calculated Property |
| Cp,gas | 236.44 | J/mol×K | 673.82 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 377.70 | K | 2.90 | NIST |
Similar Compounds
Find more compounds similar to Benzenemethanol, 3-fluoro-.
Sources
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