- InChI
- InChI=1S/C10H8BrCl3O2/c11-3-1-2-10(15)16-9-5-7(13)6(12)4-8(9)14/h4-5H,1-3H2
- InChI Key
- GQVNSYWBIORPPC-UHFFFAOYSA-N
- Formula
- C10H8BrCl3O2
- SMILES
- O=C(CCCBr)Oc1cc(Cl)c(Cl)cc1Cl
- Molecular Weight1
- 346.43
- 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° | -138.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -313.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.86 | kJ/mol | Joback Calculated Property |
| log10WS | -5.11 | Crippen Calculated Property | |
| logPoct/wat | 4.727 | Crippen Calculated Property | |
| McVol | 189.660 | ml/mol | McGowan Calculated Property |
| Pc | 2805.41 | kPa | Joback Calculated Property |
| Inp | 2147.00 | NIST | |
| Tboil | 724.56 | K | Joback Calculated Property |
| Tc | 962.23 | K | Joback Calculated Property |
| Tfus | 488.16 | K | Joback Calculated Property |
| Vc | 0.721 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [399.31; 444.00] | J/mol×K | [724.56; 962.23] | 
|
| Cp,gas | 399.31 | J/mol×K | 724.56 | Joback Calculated Property |
| Cp,gas | 408.46 | J/mol×K | 764.17 | Joback Calculated Property |
| Cp,gas | 416.89 | J/mol×K | 803.78 | Joback Calculated Property |
| Cp,gas | 424.65 | J/mol×K | 843.40 | Joback Calculated Property |
| Cp,gas | 431.74 | J/mol×K | 883.01 | Joback Calculated Property |
| Cp,gas | 438.18 | J/mol×K | 922.62 | Joback Calculated Property |
| Cp,gas | 444.00 | J/mol×K | 962.23 | Joback Calculated Property |
| η | [0.0001583; 0.0007359] | Pa×s | [488.16; 724.56] |
|
| η | 0.0007359 | Pa×s | 488.16 | Joback Calculated Property |
| η | 0.0005177 | Pa×s | 527.56 | Joback Calculated Property |
| η | 0.0003825 | Pa×s | 566.96 | Joback Calculated Property |
| η | 0.0002939 | Pa×s | 606.36 | Joback Calculated Property |
| η | 0.0002332 | Pa×s | 645.76 | Joback Calculated Property |
| η | 0.0001900 | Pa×s | 685.16 | Joback Calculated Property |
| η | 0.0001583 | Pa×s | 724.56 | Joback Calculated Property |
Similar Compounds
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Sources
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