- InChI
- InChI=1S/C10H12BrFO/c1-7(2)13-6-8-5-9(12)3-4-10(8)11/h3-5,7H,6H2,1-2H3
- InChI Key
- YIAWMCYBOIIBIQ-UHFFFAOYSA-N
- Formula
- C10H12BrFO
- SMILES
- CC(C)OCc1cc(F)ccc1Br
- Molecular Weight1
- 247.10
- 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° | -161.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -343.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.09 | kJ/mol | Joback Calculated Property |
| log10WS | -4.30 | Crippen Calculated Property | |
| logPoct/wat | 3.513 | Crippen Calculated Property | |
| McVol | 153.140 | ml/mol | McGowan Calculated Property |
| Pc | 2884.30 | kPa | Joback Calculated Property |
| Inp | [1353.00; 1353.00] |
|
|
| Inp | 1353.00 | NIST | |
| Inp | 1353.00 | NIST | |
| Tboil | 552.25 | K | Joback Calculated Property |
| Tc | 766.46 | K | Joback Calculated Property |
| Tfus | 321.54 | K | Joback Calculated Property |
| Vc | 0.580 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [330.29; 397.56] | J/mol×K | [552.25; 766.46] |
|
| Cp,gas | 330.29 | J/mol×K | 552.25 | Joback Calculated Property |
| Cp,gas | 343.21 | J/mol×K | 587.95 | Joback Calculated Property |
| Cp,gas | 355.42 | J/mol×K | 623.65 | Joback Calculated Property |
| Cp,gas | 366.94 | J/mol×K | 659.36 | Joback Calculated Property |
| Cp,gas | 377.79 | J/mol×K | 695.06 | Joback Calculated Property |
| Cp,gas | 387.99 | J/mol×K | 730.76 | Joback Calculated Property |
| Cp,gas | 397.56 | J/mol×K | 766.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Bromo-5-fluorobenzyl alcohol, isopropyl ether.
Sources
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