- InChI
- InChI=1S/C12H6BrClO2/c13-8-5-7(14)6-11-12(8)16-10-4-2-1-3-9(10)15-11/h1-6H
- InChI Key
- BSEWBOMWLZBKQD-UHFFFAOYSA-N
- Formula
- C12H6BrClO2
- SMILES
- Clc1cc(Br)c2c(c1)Oc1ccccc1O2
- Molecular Weight1
- 297.53
- 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° | 147.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -17.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.40 | kJ/mol | Joback Calculated Property |
| log10WS | -4.83 | Crippen Calculated Property | |
| logPoct/wat | 5.000 | Crippen Calculated Property | |
| McVol | 163.040 | ml/mol | McGowan Calculated Property |
| Pc | 3829.28 | kPa | Joback Calculated Property |
| Inp | [2043.00; 2043.00] |
|
|
| Inp | 2043.00 | NIST | |
| Inp | 2043.00 | NIST | |
| Tboil | 711.87 | K | Joback Calculated Property |
| Tc | 982.80 | K | Joback Calculated Property |
| Tfus | 496.48 | K | Joback Calculated Property |
| Vc | 0.611 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [365.30; 414.24] | J/mol×K | [711.87; 982.80] |
|
| Cp,gas | 365.30 | J/mol×K | 711.87 | Joback Calculated Property |
| Cp,gas | 375.05 | J/mol×K | 757.02 | Joback Calculated Property |
| Cp,gas | 383.97 | J/mol×K | 802.18 | Joback Calculated Property |
| Cp,gas | 392.21 | J/mol×K | 847.33 | Joback Calculated Property |
| Cp,gas | 399.90 | J/mol×K | 892.49 | Joback Calculated Property |
| Cp,gas | 407.19 | J/mol×K | 937.64 | Joback Calculated Property |
| Cp,gas | 414.24 | J/mol×K | 982.80 | Joback Calculated Property |
| η | [0.0005139; 0.0014752] | Pa×s | [496.48; 711.87] |
|
| η | 0.0014752 | Pa×s | 496.48 | Joback Calculated Property |
| η | 0.0011662 | Pa×s | 532.38 | Joback Calculated Property |
| η | 0.0009497 | Pa×s | 568.28 | Joback Calculated Property |
| η | 0.0007925 | Pa×s | 604.17 | Joback Calculated Property |
| η | 0.0006749 | Pa×s | 640.07 | Joback Calculated Property |
| η | 0.0005847 | Pa×s | 675.97 | Joback Calculated Property |
| η | 0.0005139 | Pa×s | 711.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-bromo, 3-chloro-dibenzo-dioxin.
Sources
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