- InChI
- InChI=1S/C9H7Br5O/c1-2-15-3-4-5(10)7(12)9(14)8(13)6(4)11/h2-3H2,1H3
- InChI Key
- XFODZBFAUIPPPP-UHFFFAOYSA-N
- Formula
- C9H7Br5O
- SMILES
- CCOCc1c(Br)c(Br)c(Br)c(Br)c1Br
- Molecular Weight1
- 530.67
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 55.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -50.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.80 | kJ/mol | Joback Calculated Property |
| log10WS | -8.09 | Crippen Calculated Property | |
| logPoct/wat | 6.036 | Crippen Calculated Property | |
| McVol | 207.280 | ml/mol | McGowan Calculated Property |
| Pc | 4456.32 | kPa | Joback Calculated Property |
| Inp | 2534.00 | NIST | |
| Tboil | 810.12 | K | Joback Calculated Property |
| Tc | 1082.43 | K | Joback Calculated Property |
| Tfus | 601.44 | K | Joback Calculated Property |
| Vc | 0.759 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [385.33; 424.28] | J/mol×K | [810.12; 1082.43] | 
|
| Cp,gas | 385.33 | J/mol×K | 810.12 | Joback Calculated Property |
| Cp,gas | 392.84 | J/mol×K | 855.51 | Joback Calculated Property |
| Cp,gas | 399.85 | J/mol×K | 900.89 | Joback Calculated Property |
| Cp,gas | 406.44 | J/mol×K | 946.28 | Joback Calculated Property |
| Cp,gas | 412.66 | J/mol×K | 991.66 | Joback Calculated Property |
| Cp,gas | 418.59 | J/mol×K | 1037.05 | Joback Calculated Property |
| Cp,gas | 424.28 | J/mol×K | 1082.43 | Joback Calculated Property |
| η | [0.0001132; 0.0003276] | Pa×s | [601.44; 810.12] |
|
| η | 0.0003276 | Pa×s | 601.44 | Joback Calculated Property |
| η | 0.0002614 | Pa×s | 636.22 | Joback Calculated Property |
| η | 0.0002136 | Pa×s | 671.00 | Joback Calculated Property |
| η | 0.0001780 | Pa×s | 705.78 | Joback Calculated Property |
| η | 0.0001509 | Pa×s | 740.56 | Joback Calculated Property |
| η | 0.0001299 | Pa×s | 775.34 | Joback Calculated Property |
| η | 0.0001132 | Pa×s | 810.12 | Joback Calculated Property |
Similar Compounds
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Sources
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