- InChI
- InChI=1S/C12H3Br5O2/c13-4-1-6(15)10-8(2-4)18-11-7(16)3-5(14)9(17)12(11)19-10/h1-3H
- InChI Key
- JABBMGVQICJEJF-UHFFFAOYSA-N
- Formula
- C12H3Br5O2
- SMILES
-
Brc1cc(Br)c2c(c1)Oc1c(Br)cc(Br
)c(Br)c1O2 - Molecular Weight1
- 578.67
- 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 | 0.6797 | Relay (1.0) Calculated Property | |
| ΔfG° | 187.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 95.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -11.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.397 | Crippen Calculated Property | |
| McVol | 220.800 | ml/mol | McGowan Calculated Property |
| Pc | 5503.26 | kPa | Joback Calculated Property |
| Inp | [3071.00; 3071.00] |
|
|
| Inp | 3071.00 | NIST | |
| Inp | 3071.00 | NIST | |
| Tboil | 681.55 | K | Relay (1.0) Calculated Property |
| Tc | 1000.33 | K | Relay (1.0) Calculated Property |
| Tfus | 466.52 | K | Relay (1.0) Calculated Property |
| Vc | 0.745 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [428.97; 486.09] | J/mol×K | [954.02; 1259.09] |
|
| Cp,gas | 428.97 | J/mol×K | 954.02 | Joback Calculated Property |
| Cp,gas | 436.52 | J/mol×K | 1004.86 | Joback Calculated Property |
| Cp,gas | 444.52 | J/mol×K | 1055.71 | Joback Calculated Property |
| Cp,gas | 453.23 | J/mol×K | 1106.55 | Joback Calculated Property |
| Cp,gas | 462.89 | J/mol×K | 1157.40 | Joback Calculated Property |
| Cp,gas | 473.76 | J/mol×K | 1208.24 | Joback Calculated Property |
| Cp,gas | 486.09 | J/mol×K | 1259.09 | Joback Calculated Property |
| η | [0.0002835; 0.0006039] | Pa×s | [743.32; 954.02] |
|
| η | 0.0006039 | Pa×s | 743.32 | Joback Calculated Property |
| η | 0.0005175 | Pa×s | 778.44 | Joback Calculated Property |
| η | 0.0004494 | Pa×s | 813.55 | Joback Calculated Property |
| η | 0.0003948 | Pa×s | 848.67 | Joback Calculated Property |
| η | 0.0003505 | Pa×s | 883.79 | Joback Calculated Property |
| η | 0.0003140 | Pa×s | 918.90 | Joback Calculated Property |
| η | 0.0002835 | Pa×s | 954.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,4,7,9-pentabromo-dibenzo-dioxin.
Sources
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