- InChI
- InChI=1S/C12HBr7O2/c13-2-1-3-10(7(17)4(2)14)21-12-9(19)6(16)5(15)8(18)11(12)20-3/h1H
- InChI Key
- FPCROEVBHPWKPI-UHFFFAOYSA-N
- Formula
- C12HBr7O2
- SMILES
-
Brc1cc2c(c(Br)c1Br)Oc1c(Br)c(B
r)c(Br)c(Br)c1O2 - Molecular Weight1
- 736.46
- 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° | 196.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 98.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 63.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.93 | kJ/mol | Joback Calculated Property |
| log10WS | -11.13 | Crippen Calculated Property | |
| logPoct/wat | 8.922 | Crippen Calculated Property | |
| McVol | 255.800 | ml/mol | McGowan Calculated Property |
| Pc | 6503.64 | kPa | Joback Calculated Property |
| Inp | [3924.00; 3924.00] |
|
|
| Inp | 3924.00 | NIST | |
| Inp | 3924.00 | NIST | |
| Tboil | 1096.30 | K | Joback Calculated Property |
| Tc | 1414.46 | K | Joback Calculated Property |
| Tfus | 887.96 | K | Joback Calculated Property |
| Vc | 0.933 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [463.44; 554.79] | J/mol×K | [1096.30; 1414.46] |
|
| Cp,gas | 463.44 | J/mol×K | 1096.30 | Joback Calculated Property |
| Cp,gas | 473.72 | J/mol×K | 1149.33 | Joback Calculated Property |
| Cp,gas | 485.57 | J/mol×K | 1202.35 | Joback Calculated Property |
| Cp,gas | 499.30 | J/mol×K | 1255.38 | Joback Calculated Property |
| Cp,gas | 515.21 | J/mol×K | 1308.40 | Joback Calculated Property |
| Cp,gas | 533.61 | J/mol×K | 1361.43 | Joback Calculated Property |
| Cp,gas | 554.79 | J/mol×K | 1414.46 | Joback Calculated Property |
| η | [0.0001674; 0.0003189] | Pa×s | [887.96; 1096.30] |
|
| η | 0.0003189 | Pa×s | 887.96 | Joback Calculated Property |
| η | 0.0002807 | Pa×s | 922.68 | Joback Calculated Property |
| η | 0.0002494 | Pa×s | 957.41 | Joback Calculated Property |
| η | 0.0002234 | Pa×s | 992.13 | Joback Calculated Property |
| η | 0.0002016 | Pa×s | 1026.85 | Joback Calculated Property |
| η | 0.0001831 | Pa×s | 1061.58 | Joback Calculated Property |
| η | 0.0001674 | Pa×s | 1096.30 | Joback Calculated Property |
Similar Compounds
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Sources
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