- InChI
- InChI=1S/C12H16BrFO/c1-3-9(2)7-15-8-10-6-11(14)4-5-12(10)13/h4-6,9H,3,7-8H2,1-2H3
- InChI Key
- KYUQIOAWSMKHJX-UHFFFAOYSA-N
- Formula
- C12H16BrFO
- SMILES
- CCC(C)COCc1cc(F)ccc1Br
- Molecular Weight1
- 275.16
- 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° | -144.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -384.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.55 | kJ/mol | Joback Calculated Property |
| log10WS | -4.78 | Crippen Calculated Property | |
| logPoct/wat | 4.151 | Crippen Calculated Property | |
| McVol | 181.320 | ml/mol | McGowan Calculated Property |
| Pc | 2370.28 | kPa | Joback Calculated Property |
| Inp | 1563.00 | NIST | |
| Tboil | 598.01 | K | Joback Calculated Property |
| Tc | 805.35 | K | Joback Calculated Property |
| Tfus | 344.08 | K | Joback Calculated Property |
| Vc | 0.692 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [424.70; 500.34] | J/mol×K | [598.01; 805.35] | 
|
| Cp,gas | 424.70 | J/mol×K | 598.01 | Joback Calculated Property |
| Cp,gas | 439.22 | J/mol×K | 632.57 | Joback Calculated Property |
| Cp,gas | 452.94 | J/mol×K | 667.12 | Joback Calculated Property |
| Cp,gas | 465.89 | J/mol×K | 701.68 | Joback Calculated Property |
| Cp,gas | 478.09 | J/mol×K | 736.23 | Joback Calculated Property |
| Cp,gas | 489.57 | J/mol×K | 770.79 | Joback Calculated Property |
| Cp,gas | 500.34 | J/mol×K | 805.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Bromo-5-fluorobenzyl alcohol, 2-methylbutyl ether.
Sources
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