- InChI
- InChI=1S/C10H12BrFO/c1-2-5-13-7-8-6-9(12)3-4-10(8)11/h3-4,6H,2,5,7H2,1H3
- InChI Key
- ADTQNBLCGVLSJB-UHFFFAOYSA-N
- Formula
- C10H12BrFO
- SMILES
- CCCOCc1cc(F)ccc1Br
- Molecular Weight1
- 247.10
- 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 | 0.5025 | Relay (1.0) Calculated Property | |
| ΔfG° | -159.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -314.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.515 | Crippen Calculated Property | |
| McVol | 153.140 | ml/mol | McGowan Calculated Property |
| Pc | 2859.68 | kPa | Joback Calculated Property |
| Inp | 1407.00 | NIST | |
| Tboil | 514.70 | K | Relay (1.0) Calculated Property |
| Tc | 723.47 | K | Relay (1.0) Calculated Property |
| Tfus | 239.63 | K | Relay (1.0) Calculated Property |
| Vc | 0.547 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [329.92; 395.73] | J/mol×K | [552.69; 762.33] | 
|
| Cp,gas | 329.92 | J/mol×K | 552.69 | Joback Calculated Property |
| Cp,gas | 342.50 | J/mol×K | 587.63 | Joback Calculated Property |
| Cp,gas | 354.42 | J/mol×K | 622.57 | Joback Calculated Property |
| Cp,gas | 365.68 | J/mol×K | 657.51 | Joback Calculated Property |
| Cp,gas | 376.31 | J/mol×K | 692.45 | Joback Calculated Property |
| Cp,gas | 386.32 | J/mol×K | 727.39 | Joback Calculated Property |
| Cp,gas | 395.73 | J/mol×K | 762.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Bromo-5-fluorobenzyl alcohol, n-propyl ether.
Sources
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