- InChI
- InChI=1S/C11H11Br5O/c1-5(2)3-17-4-6-7(12)9(14)11(16)10(15)8(6)13/h5H,3-4H2,1-2H3
- InChI Key
- AZZMIYVXZOUIHE-UHFFFAOYSA-N
- Formula
- C11H11Br5O
- SMILES
-
CC(C)COCc1c(Br)c(Br)c(Br)c(Br)
c1Br - Molecular Weight1
- 558.72
- 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 | 0.6600 | Relay (1.0) Calculated Property | |
| ΔfG° | 70.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -54.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.672 | Crippen Calculated Property | |
| McVol | 235.460 | ml/mol | McGowan Calculated Property |
| Pc | 3534.66 | kPa | Joback Calculated Property |
| Inp | [2651.00; 2651.00] |
|
|
| Inp | 2651.00 | NIST | |
| Inp | 2651.00 | NIST | |
| Tboil | 678.42 | K | Relay (1.0) Calculated Property |
| Tc | 871.33 | K | Relay (1.0) Calculated Property |
| Tfus | 406.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.771 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [489.55; 537.10] | J/mol×K | [855.44; 1120.50] |
|
| Cp,gas | 489.55 | J/mol×K | 855.44 | Joback Calculated Property |
| Cp,gas | 498.73 | J/mol×K | 899.62 | Joback Calculated Property |
| Cp,gas | 507.32 | J/mol×K | 943.79 | Joback Calculated Property |
| Cp,gas | 515.38 | J/mol×K | 987.97 | Joback Calculated Property |
| Cp,gas | 522.98 | J/mol×K | 1032.15 | Joback Calculated Property |
| Cp,gas | 530.20 | J/mol×K | 1076.32 | Joback Calculated Property |
| Cp,gas | 537.10 | J/mol×K | 1120.50 | Joback Calculated Property |
| η | [0.0000775; 0.0002791] | Pa×s | [608.98; 855.44] |
|
| η | 0.0002791 | Pa×s | 608.98 | Joback Calculated Property |
| η | 0.0002107 | Pa×s | 650.06 | Joback Calculated Property |
| η | 0.0001645 | Pa×s | 691.13 | Joback Calculated Property |
| η | 0.0001321 | Pa×s | 732.21 | Joback Calculated Property |
| η | 0.0001085 | Pa×s | 773.29 | Joback Calculated Property |
| η | 0.0000910 | Pa×s | 814.36 | Joback Calculated Property |
| η | 0.0000775 | Pa×s | 855.44 | Joback Calculated Property |
Similar Compounds
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Sources
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