- InChI
- InChI=1S/C7H6BrClO/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3
- InChI Key
- FPIQNBOUYZLESW-UHFFFAOYSA-N
- Formula
- C7H6BrClO
- SMILES
- COc1ccc(Br)cc1Cl
- Molecular Weight1
- 221.48
- CAS
- 50638-47-6
- 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° | -1.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -95.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.01 | kJ/mol | Joback Calculated Property |
| log10WS | -3.44 | Crippen Calculated Property | |
| logPoct/wat | 3.111 | Crippen Calculated Property | |
| McVol | 121.340 | ml/mol | McGowan Calculated Property |
| Pc | 4036.37 | kPa | Joback Calculated Property |
| Inp | [1351.00; 1351.00] |
|
|
| Inp | 1351.00 | NIST | |
| Inp | 1351.00 | NIST | |
| Tboil | 522.21 | K | Joback Calculated Property |
| Tc | 760.14 | K | Joback Calculated Property |
| Tfus | 332.06 | K | Joback Calculated Property |
| Vc | 0.449 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [215.29; 262.05] | J/mol×K | [522.21; 760.14] |
|
| Cp,gas | 215.29 | J/mol×K | 522.21 | Joback Calculated Property |
| Cp,gas | 224.41 | J/mol×K | 561.87 | Joback Calculated Property |
| Cp,gas | 232.98 | J/mol×K | 601.52 | Joback Calculated Property |
| Cp,gas | 241.01 | J/mol×K | 641.18 | Joback Calculated Property |
| Cp,gas | 248.53 | J/mol×K | 680.83 | Joback Calculated Property |
| Cp,gas | 255.53 | J/mol×K | 720.49 | Joback Calculated Property |
| Cp,gas | 262.05 | J/mol×K | 760.14 | Joback Calculated Property |
| η | [0.0002492; 0.0012612] | Pa×s | [332.06; 522.21] |
|
| η | 0.0012612 | Pa×s | 332.06 | Joback Calculated Property |
| η | 0.0008556 | Pa×s | 363.75 | Joback Calculated Property |
| η | 0.0006177 | Pa×s | 395.44 | Joback Calculated Property |
| η | 0.0004681 | Pa×s | 427.13 | Joback Calculated Property |
| η | 0.0003685 | Pa×s | 458.83 | Joback Calculated Property |
| η | 0.0002993 | Pa×s | 490.52 | Joback Calculated Property |
| η | 0.0002492 | Pa×s | 522.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Bromo-2-chloroanisole.
Sources
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