- InChI
- InChI=1S/C7H5Br2ClO/c1-11-7-4(8)2-3-5(10)6(7)9/h2-3H,1H3
- InChI Key
- AHBGIHFKTBTQJP-UHFFFAOYSA-N
- Formula
- C7H5Br2ClO
- SMILES
- COc1c(Br)ccc(Cl)c1Br
- Molecular Weight1
- 300.38
- 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° | 3.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -80.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.10 | kJ/mol | Joback Calculated Property |
| log10WS | -4.60 | Crippen Calculated Property | |
| logPoct/wat | 3.874 | Crippen Calculated Property | |
| McVol | 138.840 | ml/mol | McGowan Calculated Property |
| Pc | 4328.25 | kPa | Joback Calculated Property |
| Inp | [1624.00; 1671.00] |
|
|
| Inp | 1624.00 | NIST | |
| Inp | 1671.00 | NIST | |
| Inp | 1624.00 | NIST | |
| Tboil | 593.35 | K | Joback Calculated Property |
| Tc | 846.92 | K | Joback Calculated Property |
| Tfus | 404.38 | K | Joback Calculated Property |
| Vc | 0.510 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [241.49; 281.56] | J/mol×K | [593.35; 846.92] |
|
| Cp,gas | 241.49 | J/mol×K | 593.35 | Joback Calculated Property |
| Cp,gas | 249.47 | J/mol×K | 635.61 | Joback Calculated Property |
| Cp,gas | 256.90 | J/mol×K | 677.87 | Joback Calculated Property |
| Cp,gas | 263.80 | J/mol×K | 720.14 | Joback Calculated Property |
| Cp,gas | 270.20 | J/mol×K | 762.40 | Joback Calculated Property |
| Cp,gas | 276.11 | J/mol×K | 804.66 | Joback Calculated Property |
| Cp,gas | 281.56 | J/mol×K | 846.92 | Joback Calculated Property |
| η | [0.0002335; 0.0008993] | Pa×s | [404.38; 593.35] |
|
| η | 0.0008993 | Pa×s | 404.38 | Joback Calculated Property |
| η | 0.0006623 | Pa×s | 435.88 | Joback Calculated Property |
| η | 0.0005082 | Pa×s | 467.37 | Joback Calculated Property |
| η | 0.0004033 | Pa×s | 498.87 | Joback Calculated Property |
| η | 0.0003289 | Pa×s | 530.36 | Joback Calculated Property |
| η | 0.0002745 | Pa×s | 561.86 | Joback Calculated Property |
| η | 0.0002335 | Pa×s | 593.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Dibromo-3-chloroanisole.
Sources
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