- InChI
- InChI=1S/C11H14BrFO/c1-11(2,3)14-7-8-6-9(13)4-5-10(8)12/h4-6H,7H2,1-3H3
- InChI Key
- YGLXCCJAAKQZSM-UHFFFAOYSA-N
- Formula
- C11H14BrFO
- SMILES
- CC(C)(C)OCc1cc(F)ccc1Br
- Molecular Weight1
- 261.13
- 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° | -147.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -367.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.41 | kJ/mol | Joback Calculated Property |
| log10WS | -4.72 | Crippen Calculated Property | |
| logPoct/wat | 3.903 | Crippen Calculated Property | |
| McVol | 167.230 | ml/mol | McGowan Calculated Property |
| Pc | 2637.96 | kPa | Joback Calculated Property |
| Inp | [1404.00; 1404.00] |
|
|
| Inp | 1404.00 | NIST | |
| Inp | 1404.00 | NIST | |
| Tboil | 572.34 | K | Joback Calculated Property |
| Tc | 791.36 | K | Joback Calculated Property |
| Tfus | 350.23 | K | Joback Calculated Property |
| Vc | 0.630 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [379.71; 452.37] | J/mol×K | [572.34; 791.36] |
|
| Cp,gas | 379.71 | J/mol×K | 572.34 | Joback Calculated Property |
| Cp,gas | 393.95 | J/mol×K | 608.84 | Joback Calculated Property |
| Cp,gas | 407.28 | J/mol×K | 645.35 | Joback Calculated Property |
| Cp,gas | 419.74 | J/mol×K | 681.85 | Joback Calculated Property |
| Cp,gas | 431.38 | J/mol×K | 718.36 | Joback Calculated Property |
| Cp,gas | 442.24 | J/mol×K | 754.86 | Joback Calculated Property |
| Cp,gas | 452.37 | J/mol×K | 791.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Bromo-5-fluorobenzyl alcohol, tert.-butyl ether.
Sources
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