- InChI
- InChI=1S/C7H5Br3O/c1-11-7-3-5(9)4(8)2-6(7)10/h2-3H,1H3
- InChI Key
- VHOBLUDHUKOSAT-UHFFFAOYSA-N
- Formula
- C7H5Br3O
- SMILES
- COc1cc(Br)c(Br)cc1Br
- Molecular Weight1
- 344.83
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | 0.4865 | Relay (1.0) Calculated Property | |
| ΔfG° | 29.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -14.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.983 | Crippen Calculated Property | |
| McVol | 144.100 | ml/mol | McGowan Calculated Property |
| Pc | 5001.51 | kPa | Joback Calculated Property |
| Inp | [1726.00; 1782.00] |
|
|
| Inp | 1726.00 | NIST | |
| Inp | 1782.00 | NIST | |
| Tboil | 575.59 | K | Relay (1.0) Calculated Property |
| Tc | 788.36 | K | Relay (1.0) Calculated Property |
| Tfus | 355.23 | K | Relay (1.0) Calculated Property |
| Vc | 0.487 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [248.12; 286.69] | J/mol×K | [622.08; 885.53] |
|
| Cp,gas | 248.12 | J/mol×K | 622.08 | Joback Calculated Property |
| Cp,gas | 255.87 | J/mol×K | 665.99 | Joback Calculated Property |
| Cp,gas | 263.04 | J/mol×K | 709.90 | Joback Calculated Property |
| Cp,gas | 269.68 | J/mol×K | 753.80 | Joback Calculated Property |
| Cp,gas | 275.81 | J/mol×K | 797.71 | Joback Calculated Property |
| Cp,gas | 281.46 | J/mol×K | 841.62 | Joback Calculated Property |
| Cp,gas | 286.69 | J/mol×K | 885.53 | Joback Calculated Property |
| η | [0.0002250; 0.0008008] | Pa×s | [434.26; 622.08] |
|
| η | 0.0008008 | Pa×s | 434.26 | Joback Calculated Property |
| η | 0.0006036 | Pa×s | 465.56 | Joback Calculated Property |
| η | 0.0004715 | Pa×s | 496.87 | Joback Calculated Property |
| η | 0.0003792 | Pa×s | 528.17 | Joback Calculated Property |
| η | 0.0003125 | Pa×s | 559.47 | Joback Calculated Property |
| η | 0.0002629 | Pa×s | 590.78 | Joback Calculated Property |
| η | 0.0002250 | Pa×s | 622.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,5-Tribromoanisole.
Sources
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