- InChI
- InChI=1S/C11H14ClFO/c1-2-3-7-14-8-9-10(12)5-4-6-11(9)13/h4-6H,2-3,7-8H2,1H3
- InChI Key
- RXVKSAQLTSSUEF-UHFFFAOYSA-N
- Formula
- C11H14ClFO
- SMILES
- CCCCOCc1c(F)cccc1Cl
- Molecular Weight1
- 216.68
- 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).
- Inp : Non-polar retention indices.
- 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° | -176.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -400.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.66 | kJ/mol | Joback Calculated Property |
| log10WS | -4.13 | Crippen Calculated Property | |
| logPoct/wat | 3.796 | Crippen Calculated Property | |
| McVol | 161.970 | ml/mol | McGowan Calculated Property |
| Pc | 2329.27 | kPa | Joback Calculated Property |
| Inp | 1411.00 | NIST | |
| Tboil | 546.84 | K | Joback Calculated Property |
| Tc | 744.51 | K | Joback Calculated Property |
| Tfus | 317.93 | K | Joback Calculated Property |
| Vc | 0.628 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [363.15; 434.81] | J/mol×K | [546.84; 744.51] | 
|
| Cp,gas | 363.15 | J/mol×K | 546.84 | Joback Calculated Property |
| Cp,gas | 376.69 | J/mol×K | 579.79 | Joback Calculated Property |
| Cp,gas | 389.57 | J/mol×K | 612.73 | Joback Calculated Property |
| Cp,gas | 401.82 | J/mol×K | 645.68 | Joback Calculated Property |
| Cp,gas | 413.43 | J/mol×K | 678.62 | Joback Calculated Property |
| Cp,gas | 424.43 | J/mol×K | 711.57 | Joback Calculated Property |
| Cp,gas | 434.81 | J/mol×K | 744.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Chloro-6-fluorobenzyl alcohol, n-butyl ether.
Sources
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