- InChI
- InChI=1S/C4H8BrF/c1-3(5)4(2)6/h3-4H,1-2H3/t3-,4-/m0/s1
- InChI Key
- MVQSVOOVCVGPJU-IMJSIDKUSA-N
- Formula
- C4H8BrF
- SMILES
- CC(F)C(C)Br
- Molecular Weight1
- 155.01
- CAS
- 57302-15-5
- 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 | 0.3445 | Relay (1.0) Calculated Property | |
| ΔfG° | -202.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -312.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.91 | eV | NIST |
| log10WS | -1.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.128 | Crippen Calculated Property | |
| McVol | 86.490 | ml/mol | McGowan Calculated Property |
| Pc | 4098.62 | kPa | Joback Calculated Property |
| Tboil | 374.02 | K | Relay (1.0) Calculated Property |
| Tc | 559.63 | K | Relay (1.0) Calculated Property |
| Tfus | 225.65 | K | Relay (1.0) Calculated Property |
| Vc | 0.326 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [135.56; 178.52] | J/mol×K | [355.47; 539.31] | 
|
| Cp,gas | 135.56 | J/mol×K | 355.47 | Joback Calculated Property |
| Cp,gas | 143.62 | J/mol×K | 386.11 | Joback Calculated Property |
| Cp,gas | 151.31 | J/mol×K | 416.75 | Joback Calculated Property |
| Cp,gas | 158.62 | J/mol×K | 447.39 | Joback Calculated Property |
| Cp,gas | 165.59 | J/mol×K | 478.03 | Joback Calculated Property |
| Cp,gas | 172.22 | J/mol×K | 508.67 | Joback Calculated Property |
| Cp,gas | 178.52 | J/mol×K | 539.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butane, 2-bromo-3-fluoro-, (r*,r*)-.
Sources
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