- InChI
- InChI=1S/C7H6ClFO/c8-6-2-1-3-7(9)5(6)4-10/h1-3,10H,4H2
- InChI Key
- ZZFCUESFXBCRSC-UHFFFAOYSA-N
- Formula
- C7H6ClFO
- SMILES
- OCc1c(F)cccc1Cl
- Molecular Weight1
- 160.57
- CAS
- 56456-50-9
- Other Names
-
- 2-Chloro-6-fluorobenzyl 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).
- 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 | 0.5812 | Relay (1.0) Calculated Property | |
| ΔfG° | -242.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -324.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.971 | Crippen Calculated Property | |
| McVol | 105.610 | ml/mol | McGowan Calculated Property |
| Pc | 4010.84 | kPa | Joback Calculated Property |
| Tboil | 496.31 | K | Relay (1.0) Calculated Property |
| Tc | 740.36 | K | Relay (1.0) Calculated Property |
| Tfus | 346.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.376 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [212.23; 253.25] | J/mol×K | [525.08; 722.69] | 
|
| Cp,gas | 212.23 | J/mol×K | 525.08 | Joback Calculated Property |
| Cp,gas | 220.10 | J/mol×K | 558.01 | Joback Calculated Property |
| Cp,gas | 227.54 | J/mol×K | 590.95 | Joback Calculated Property |
| Cp,gas | 234.56 | J/mol×K | 623.88 | Joback Calculated Property |
| Cp,gas | 241.17 | J/mol×K | 656.82 | Joback Calculated Property |
| Cp,gas | 247.40 | J/mol×K | 689.75 | Joback Calculated Property |
| Cp,gas | 253.25 | J/mol×K | 722.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-chloro-6-fluorobenzylic alcohol.
Sources
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