- InChI
- InChI=1S/C12H13Br5O/c1-3-6(2)4-18-5-7-8(13)10(15)12(17)11(16)9(7)14/h6H,3-5H2,1-2H3
- InChI Key
- SMQMBZTYGZGJEI-UHFFFAOYSA-N
- Formula
- C12H13Br5O
- SMILES
-
CCC(C)COCc1c(Br)c(Br)c(Br)c(Br
)c1Br - Molecular Weight1
- 572.75
- 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° | 78.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -117.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.09 | kJ/mol | Joback Calculated Property |
| log10WS | -9.10 | Crippen Calculated Property | |
| logPoct/wat | 7.062 | Crippen Calculated Property | |
| McVol | 249.550 | ml/mol | McGowan Calculated Property |
| Pc | 3163.27 | kPa | Joback Calculated Property |
| Inp | 2757.00 | NIST | |
| Tboil | 878.32 | K | Joback Calculated Property |
| Tc | 1137.99 | K | Joback Calculated Property |
| Tfus | 620.25 | K | Joback Calculated Property |
| Vc | 0.921 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [543.01; 594.05] | J/mol×K | [878.32; 1137.99] | 
|
| Cp,gas | 543.01 | J/mol×K | 878.32 | Joback Calculated Property |
| Cp,gas | 552.83 | J/mol×K | 921.60 | Joback Calculated Property |
| Cp,gas | 562.03 | J/mol×K | 964.88 | Joback Calculated Property |
| Cp,gas | 570.67 | J/mol×K | 1008.15 | Joback Calculated Property |
| Cp,gas | 578.84 | J/mol×K | 1051.43 | Joback Calculated Property |
| Cp,gas | 586.61 | J/mol×K | 1094.71 | Joback Calculated Property |
| Cp,gas | 594.05 | J/mol×K | 1137.99 | Joback Calculated Property |
| η | [0.0000668; 0.0002517] | Pa×s | [620.25; 878.32] |
|
| η | 0.0002517 | Pa×s | 620.25 | Joback Calculated Property |
| η | 0.0001878 | Pa×s | 663.26 | Joback Calculated Property |
| η | 0.0001452 | Pa×s | 706.27 | Joback Calculated Property |
| η | 0.0001157 | Pa×s | 749.28 | Joback Calculated Property |
| η | 0.0000944 | Pa×s | 792.30 | Joback Calculated Property |
| η | 0.0000787 | Pa×s | 835.31 | Joback Calculated Property |
| η | 0.0000668 | Pa×s | 878.32 | Joback Calculated Property |
Similar Compounds
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Sources
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