- InChI
- InChI=1S/C8H8BrF/c1-6-3-2-4-7(5-9)8(6)10/h2-4H,5H2,1H3
- InChI Key
- DCGWFNZSJBIAKE-UHFFFAOYSA-N
- Formula
- C8H8BrF
- SMILES
- Cc1cccc(CBr)c1F
- Molecular Weight1
- 203.05
- CAS
- 151412-12-3
- 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).
- 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 | 0.4339 | Relay (1.0) Calculated Property | |
| ΔfG° | -70.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -161.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.029 | Crippen Calculated Property | |
| McVol | 119.090 | ml/mol | McGowan Calculated Property |
| Pc | 3624.61 | kPa | Joback Calculated Property |
| Tboil | 489.21 | K | Relay (1.0) Calculated Property |
| Tc | 695.48 | K | Relay (1.0) Calculated Property |
| Tfus | 313.28 | K | Relay (1.0) Calculated Property |
| Vc | 0.424 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [221.28; 276.31] | J/mol×K | [484.51; 703.28] | 
|
| Cp,gas | 221.28 | J/mol×K | 484.51 | Joback Calculated Property |
| Cp,gas | 231.96 | J/mol×K | 520.97 | Joback Calculated Property |
| Cp,gas | 241.99 | J/mol×K | 557.43 | Joback Calculated Property |
| Cp,gas | 251.42 | J/mol×K | 593.90 | Joback Calculated Property |
| Cp,gas | 260.26 | J/mol×K | 630.36 | Joback Calculated Property |
| Cp,gas | 268.55 | J/mol×K | 666.82 | Joback Calculated Property |
| Cp,gas | 276.31 | J/mol×K | 703.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Fluoro-3-methylbenzyl bromide.
Sources
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