- InChI
- InChI=1S/C11H14BrFO/c1-3-8(2)14-7-9-6-10(13)4-5-11(9)12/h4-6,8H,3,7H2,1-2H3
- InChI Key
- XKZBHGNKGSSJFY-UHFFFAOYSA-N
- Formula
- C11H14BrFO
- SMILES
- CCC(C)OCc1cc(F)ccc1Br
- Molecular Weight1
- 261.13
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.4960 | Relay (1.0) Calculated Property | |
| ΔfG° | -153.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -346.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.903 | Crippen Calculated Property | |
| McVol | 167.230 | ml/mol | McGowan Calculated Property |
| Pc | 2608.40 | kPa | Joback Calculated Property |
| Inp | [1451.00; 1451.00] |
|
|
| Inp | 1451.00 | NIST | |
| Inp | 1451.00 | NIST | |
| Tboil | 519.58 | K | Relay (1.0) Calculated Property |
| Tc | 725.34 | K | Relay (1.0) Calculated Property |
| Tfus | 241.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.595 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [376.65; 448.41] | J/mol×K | [575.13; 785.81] |
|
| Cp,gas | 376.65 | J/mol×K | 575.13 | Joback Calculated Property |
| Cp,gas | 390.42 | J/mol×K | 610.24 | Joback Calculated Property |
| Cp,gas | 403.45 | J/mol×K | 645.36 | Joback Calculated Property |
| Cp,gas | 415.73 | J/mol×K | 680.47 | Joback Calculated Property |
| Cp,gas | 427.31 | J/mol×K | 715.58 | Joback Calculated Property |
| Cp,gas | 438.20 | J/mol×K | 750.70 | Joback Calculated Property |
| Cp,gas | 448.41 | J/mol×K | 785.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Bromo-5-fluorobenzyl alcohol, 1-methylpropyl ether.
Sources
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