- InChI
- InChI=1S/C12H16BrFO/c1-12(2,3)8-15-7-9-6-10(14)4-5-11(9)13/h4-6H,7-8H2,1-3H3
- InChI Key
- DRTHHCVALBSBOM-UHFFFAOYSA-N
- Formula
- C12H16BrFO
- SMILES
- CC(C)(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° | -139.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -388.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.64 | 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 | 2395.87 | kPa | Joback Calculated Property |
| Inp | 1481.00 | NIST | |
| Tboil | 595.22 | K | Joback Calculated Property |
| Tc | 810.44 | K | Joback Calculated Property |
| Tfus | 361.50 | K | Joback Calculated Property |
| Vc | 0.686 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [427.62; 504.07] | J/mol×K | [595.22; 810.44] | 
|
| Cp,gas | 427.62 | J/mol×K | 595.22 | Joback Calculated Property |
| Cp,gas | 442.55 | J/mol×K | 631.09 | Joback Calculated Property |
| Cp,gas | 456.55 | J/mol×K | 666.96 | Joback Calculated Property |
| Cp,gas | 469.65 | J/mol×K | 702.83 | Joback Calculated Property |
| Cp,gas | 481.91 | J/mol×K | 738.70 | Joback Calculated Property |
| Cp,gas | 493.37 | J/mol×K | 774.57 | Joback Calculated Property |
| Cp,gas | 504.07 | J/mol×K | 810.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Bromo-5-fluorobenzyl alcohol, neopentyl ether.
Sources
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