- InChI
- InChI=1S/C10H11BrF2O/c1-2-3-14-6-8-9(12)4-7(11)5-10(8)13/h4-5H,2-3,6H2,1H3
- InChI Key
- VXROEDKIUVVMKW-UHFFFAOYSA-N
- Formula
- C10H11BrF2O
- SMILES
- CCCOCc1c(F)cc(Br)cc1F
- Molecular Weight1
- 265.10
- 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° | -363.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -545.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.33 | kJ/mol | Joback Calculated Property |
| log10WS | -4.52 | Crippen Calculated Property | |
| logPoct/wat | 3.654 | Crippen Calculated Property | |
| McVol | 154.910 | ml/mol | McGowan Calculated Property |
| Pc | 2684.64 | kPa | Joback Calculated Property |
| Inp | 1366.00 | NIST | |
| Tboil | 556.94 | K | Joback Calculated Property |
| Tc | 757.61 | K | Joback Calculated Property |
| Tfus | 349.65 | K | Joback Calculated Property |
| Vc | 0.604 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [337.69; 399.42] | J/mol×K | [556.94; 757.61] | 
|
| Cp,gas | 337.69 | J/mol×K | 556.94 | Joback Calculated Property |
| Cp,gas | 349.37 | J/mol×K | 590.39 | Joback Calculated Property |
| Cp,gas | 360.49 | J/mol×K | 623.83 | Joback Calculated Property |
| Cp,gas | 371.04 | J/mol×K | 657.28 | Joback Calculated Property |
| Cp,gas | 381.04 | J/mol×K | 690.72 | Joback Calculated Property |
| Cp,gas | 390.49 | J/mol×K | 724.17 | Joback Calculated Property |
| Cp,gas | 399.42 | J/mol×K | 757.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Bromo-2,6-difluorobenzyl alcohol, n-propyl ether.
Sources
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