- InChI
- InChI=1S/C12H6Br2O2/c13-7-5-8(14)12-11(6-7)15-9-3-1-2-4-10(9)16-12/h1-6H
- InChI Key
- CEMPIZJFPAOXRG-UHFFFAOYSA-N
- Formula
- C12H6Br2O2
- SMILES
- Brc1cc(Br)c2c(c1)Oc1ccccc1O2
- Molecular Weight1
- 341.98
- 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 | 0.5595 | Relay (... Calculated Property | |
| ΔfG° | 173.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 23.33 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 39.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.81 | kJ/mol | Relay (... Calculated Property |
| IE | 7.84 | eV | Relay (... Calculated Property |
| log10WS | -7.80 | Relay (... Calculated Property | |
| logPoct/wat | 5.110 | Crippen Calculated Property | |
| McVol | 168.300 | ml/mol | McGowan Calculated Property |
| Pc | 4385.77 | kPa | Joback Calculated Property |
| Inp | [2112.00; 2112.00] |
|
|
| Inp | 2112.00 | NIST | |
| Inp | 2112.00 | NIST | |
| Tboil | 626.63 | K | Relay (... Calculated Property |
| Tc | 921.74 | K | Relay (... Calculated Property |
| Tfus | 401.96 | K | Relay (... Calculated Property |
| Vc | 0.611 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [372.39; 420.88] | J/mol×K | [740.60; 1020.08] |
|
| Cp,gas | 372.39 | J/mol×K | 740.60 | Joback Calculated Property |
| Cp,gas | 381.75 | J/mol×K | 787.18 | Joback Calculated Property |
| Cp,gas | 390.37 | J/mol×K | 833.76 | Joback Calculated Property |
| Cp,gas | 398.41 | J/mol×K | 880.34 | Joback Calculated Property |
| Cp,gas | 406.06 | J/mol×K | 926.92 | Joback Calculated Property |
| Cp,gas | 413.49 | J/mol×K | 973.50 | Joback Calculated Property |
| Cp,gas | 420.88 | J/mol×K | 1020.08 | Joback Calculated Property |
| η | [0.0005007; 0.0013795] | Pa×s | [526.36; 740.60] |
|
| η | 0.0013795 | Pa×s | 526.36 | Joback Calculated Property |
| η | 0.0011043 | Pa×s | 562.07 | Joback Calculated Property |
| η | 0.0009077 | Pa×s | 597.77 | Joback Calculated Property |
| η | 0.0007629 | Pa×s | 633.48 | Joback Calculated Property |
| η | 0.0006531 | Pa×s | 669.19 | Joback Calculated Property |
| η | 0.0005680 | Pa×s | 704.89 | Joback Calculated Property |
| η | 0.0005007 | Pa×s | 740.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-dibromo-dibenzo-dioxin.
Sources
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